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CID 166567236

PubChem CID
166567236
Structure
CID 166567236_small.png
Molecular Formula
Synonyms
  • Tirzepatide
  • 2023788-19-2
  • Mounjaro (TN)
  • Zepbound (TN)
  • Tirzepatide free base?
Molecular Weight
4813 g/mol
Computed by PubChem 2.2 (PubChem release 2025.09.15)
Dates
  • Create:
    2023-02-02
  • Modify:
    2026-05-17
See also: Tirzepatide (annotation moved to).

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 166567236.png

1.2 3D Status

Conformer generation is disallowed since too many atoms, too flexible

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

20-[[(1S)-4-[2-[2-[2-[2-[2-[2-[[(5S)-5-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-2-methylpropanoyl]amino]-4-carboxybutanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-2-methylpropanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]-6-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[2-[[2-[(2S)-2-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-20-oxoicosanoic acid
Computed by Lexichem TK 2.9.3 (PubChem release 2025.09.15)

2.1.2 InChI

InChI=1S/C225H348N48O68/c1-23-126(10)183(264-198(311)146(64-50-52-88-226)246-202(315)157(109-180(297)298)252-199(312)152(103-124(6)7)261-223(337)225(21,22)269-217(330)185(128(12)25-3)266-209(322)163(120-278)257-200(313)153(107-138-74-78-141(282)79-75-138)250-203(316)158(110-181(299)300)253-207(320)162(119-277)259-216(329)187(134(18)280)267-206(319)155(106-136-60-44-41-45-61-136)254-215(328)186(133(17)279)262-174(289)114-237-193(306)147(83-87-179(295)296)260-222(336)224(19,20)268-192(305)143(227)104-137-72-76-140(281)77-73-137)214(327)242-131(15)190(303)244-148(80-84-168(228)283)196(309)245-145(65-51-53-89-231-175(290)121-340-100-99-339-97-91-233-176(291)122-341-101-98-338-96-90-232-170(285)86-82-150(221(334)335)243-171(286)70-46-38-36-34-32-30-28-26-27-29-31-33-35-37-39-47-71-178(293)294)195(308)240-130(14)191(304)248-154(105-135-58-42-40-43-59-135)205(318)263-182(125(8)9)212(325)247-149(81-85-169(229)284)197(310)251-156(108-139-111-234-144-63-49-48-62-142(139)144)201(314)249-151(102-123(4)5)204(317)265-184(127(11)24-2)213(326)241-129(13)189(302)236-112-172(287)235-115-177(292)270-92-54-66-164(270)210(323)258-161(118-276)208(321)256-160(117-275)194(307)238-113-173(288)239-132(16)218(331)272-94-56-68-166(272)220(333)273-95-57-69-167(273)219(332)271-93-55-67-165(271)211(324)255-159(116-274)188(230)301/h40-45,48-49,58-63,72-79,111,123-134,143,145-167,182-187,234,274-282H,23-39,46-47,50-57,64-71,80-110,112-122,226-227H2,1-22H3,(H2,228,283)(H2,229,284)(H2,230,301)(H,231,290)(H,232,285)(H,233,291)(H,235,287)(H,236,302)(H,237,306)(H,238,307)(H,239,288)(H,240,308)(H,241,326)(H,242,327)(H,243,286)(H,244,303)(H,245,309)(H,246,315)(H,247,325)(H,248,304)(H,249,314)(H,250,316)(H,251,310)(H,252,312)(H,253,320)(H,254,328)(H,255,324)(H,256,321)(H,257,313)(H,258,323)(H,259,329)(H,260,336)(H,261,337)(H,262,289)(H,263,318)(H,264,311)(H,265,317)(H,266,322)(H,267,319)(H,268,305)(H,269,330)(H,293,294)(H,295,296)(H,297,298)(H,299,300)(H,334,335)/t126-,127-,128-,129-,130-,131-,132-,133+,134+,143-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,182-,183-,184-,185-,186-,187-/m0/s1
Computed by InChI 1.07.4 (PubChem release 2025.09.15)

2.1.3 InChIKey

BTSOGEDATSQOAF-MCNPHUAVSA-N
Computed by InChI 1.07.4 (PubChem release 2025.09.15)

2.1.4 SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@@H](C(=O)O)NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N4CCC[C@H]4C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N5CCC[C@H]5C(=O)N6CCC[C@H]6C(=O)N7CCC[C@H]7C(=O)N[C@@H](CO)C(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](CC8=CC=C(C=C8)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC9=CC=CC=C9)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@H](CC1=CC=C(C=C1)O)N
Computed by OEChem 4.2.0 (PubChem release 2025.09.15)

2.2 Molecular Formula

C225H348N48O68
Computed by PubChem 2.2 (PubChem release 2025.09.15)

2.3 Other Identifiers

2.3.1 KEGG ID

D11360

2.4 Synonyms

2.4.1 Depositor-Supplied Synonyms

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
4813 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2025.09.15)
Property Name
XLogP3-AA
Property Value
-6.8
Reference
Computed by XLogP3 3.0 (PubChem release 2025.09.15)
Property Name
Hydrogen Bond Donor Count
Property Value
58
Reference
Computed by Cactvs 3.4.8.24 (PubChem release 2025.09.15)
Property Name
Hydrogen Bond Acceptor Count
Property Value
70
Reference
Computed by Cactvs 3.4.8.24 (PubChem release 2025.09.15)
Property Name
Rotatable Bond Count
Property Value
163
Reference
Computed by Cactvs 3.4.8.24 (PubChem release 2025.09.15)
Property Name
Exact Mass
Property Value
4812.5315671 Da
Reference
Computed by PubChem 2.2 (PubChem release 2025.09.15)
Property Name
Monoisotopic Mass
Property Value
4810.5248574 Da
Reference
Computed by PubChem 2.2 (PubChem release 2025.09.15)
Property Name
Topological Polar Surface Area
Property Value
1790 Ų
Reference
Computed by Cactvs 3.4.8.24 (PubChem release 2025.09.15)
Property Name
Heavy Atom Count
Property Value
341
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
11700
Reference
Computed by Cactvs 3.4.8.24 (PubChem release 2025.09.15)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
39
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2025.09.15)

5 Chemical Vendors

10 vendors
PubChem SID: 495674884
Purchasable Chemical: BB46502
CymitQuimica
PubChem SID: 470477686
Purchasable Chemical: CQ_2023788-19-2
ChemShuttle
PubChem SID: 520663116
Purchasable Chemical: WLZ4518
Molport
PubChem SID: 520556406
Purchasable Chemical: Molport-051-907-206
DC Chemicals
PubChem SID: 485653656
Purchasable Chemical: DC65684
Mcule
PubChem SID: 494316888
Purchasable Chemical: MCULE-4091838434
BroadPharm
PubChem SID: 513263012
Purchasable Chemical: BP-43671
AChemBlock
PubChem SID: 523598342
Purchasable Chemical: AD276464
AA BLOCKS
PubChem SID: 524064750
Purchasable Chemical: AA01MVAI
Angene Chemical
PubChem SID: 521883953
Purchasable Chemical: AG01MVDA

6 Drug and Medication Information

6.1 Clinical Trials

6.1.1 ClinicalTrials.gov

181 items
  • A Study of Tirzepatide (LY3298176) in Participants With Overweight or Obesity and Chronic Kidney Disease With or Without Type 2 Diabetes
    Phase: Phase 2
    Status: Active, not recruiting
    Date: 2026-05-08
  • Tirzepatide Titration to Reduce Side Effects in Individuals With Obesity
    Phase: N/A
    Status: Not yet recruiting
    Date: 2026-05-08
  • CARTIZ Registry: Cartilage, Arthropathy and Imaging Under Tirzepatide in Zone-stratified Cohorts - A Four-Institute Mexican Observational Registry
    Status: Not yet recruiting
    Date: 2026-05-08
  • Tirzepatide s Dopaminergic Effects in Alcohol Use Disorders (AUD)
    Phase: Phase 1
    Status: Not yet recruiting
    Date: 2026-05-08
  • Tirzepatide Following Adrenalectomy in Mild Autonomous Cortisol Secretion
    Phase: Phase 2
    Status: Not yet recruiting
    Date: 2026-05-07
Page of 37

6.1.2 EU Clinical Trials Register

10 items
  • Towards a personalized precision medicine in rare disease: tirzepatide (a dual glucose­ dependent insulinotropic polypeptide and glucagon-like peptide-I receptor agonist) monotherapy in patients with Wolfrarn syndrome type 1.
    Phase: Phase 2
    Status: Trial now transitioned
    Date: 2023-05-02
  • Tirzepatide Study of Renal Function in People with Overweight or Obesity and Chronic Kidney Disease with or without Type 2 Diabetes: Focus on Kidney Hypoxia in Relation to Fatty Kidney Disease using Multiparametric Magnetic Resonance Imaging (TREASURE-CKD)
    Phase: Phase 2
    Status: Trial now transitioned
    Date: 2022-11-21
  • A Randomized, Double-Blind, Placebo-Controlled, Phase 3 Study with an Open-Label Extension Assessing the Efficacy, Safety, and Pharmacokinetics/Pharmacodynamics of Tirzepatide in
    Phase: Phase 3
    Status: Completed
    Date: 2022-08-16
  • A Randomized, Phase 3, Open-label Trial Comparing the Effect of the Addition of Tirzepatide Once Weekly versus Insulin Lispro (U100) Three Times Daily in Participants with Type 2 Diabetes Inadequately Controlled on Insulin Glargine (U100) with or without Metformin
    Phase: Phase 3
    Status: Completed
    Date: 2020-11-03
  • The Effect of Tirzepatide versus Dulaglutide on Major Adverse Cardiovascular Events in Patients with Type 2 Diabetes (SURPASS-CVOT)
    Phase: Phase 3
    Status: Trial now transitioned, Ongoing
    Date: 2020-03-30
Page of 2

6.1.3 NIPH Clinical Trials Search of Japan

14 items
  • Safety of tirzepatide for Hcc In patients with Existing steatotic Liver Disease and obesity after curative treatment
    Status: Recruiting
    Date: 2026-03-24
  • Efficacy of Tirzepatide and Nalmefene to Alcohol-Dependence
    Status: Recruiting
    Date: 2026-03-23
  • A Study of Bimagrumab (LY3985863) and Tirzepatide (LY3298176), Alone or in Combination, in Participants with Obesity or Overweight with Type 2 Diabetes
    Status: Suspended
    Date: 2025-04-28
  • A Study of Tirzepatide (LY3298176) Compared With Placebo in Adults With Type 1 Diabetes and Obesity or Overweight
    Status: Recruiting
    Date: 2025-04-28
  • Investigation of the effects of tirzepatide (Mounjaro)
    Status: Complete: follow-up complete
    Date: 2025-01-29
Page of 3

7 Literature

7.1 Consolidated References

1 item
  • Tirzepatide
    Publication Name: Pharmaceutical Substances
    Publication Date: 2025

7.2 Thieme References

1 item
  • Tirzepatide
    Publication Date: 2025
    Publication Name: Pharmaceutical Substances

7.3 Chemical Co-Occurrences in Literature

Showing 2 of 2 View More Co-Occurrence and Evidence Data
Chemical
CID 163285897.png
Selected evidence
1 article
View All
  • null-01-01
Chemical
Tirzepatide.png
Selected evidence
1 article
View All
  • null-01-01

8 Patents

8.1 Depositor-Supplied Patent Identifiers

1 item

8.2 WIPO PATENTSCOPE

Patents are available for this chemical structure:

https://patentscope.wipo.int/search/en/result.jsf?inchikey=BTSOGEDATSQOAF-MCNPHUAVSA-N

9 Classification

9.1 KEGG: Drug

1 item
View in Classification Browser
  • Tirzepatide (JAN/USAN)

9.2 KEGG: USP

1 item
View in Classification Browser
  • Tirzepatide (JAN/USAN)

9.3 KEGG: ATC

1 item
View in Classification Browser
  • Tirzepatide (JAN/USAN)

9.4 KEGG: Target-based Classification of Drugs

1 item
View in Classification Browser
  • Tirzepatide (JAN/USAN)

9.5 KEGG: Drug Groups

1 item
View in Classification Browser
  • Tirzepatide

9.6 KEGG: Drug Classes

1 item
View in Classification Browser
  • Tirzepatide

9.7 WHO ATC Classification System

1 item
View in Classification Browser
  • A10BX16 - Tirzepatide

9.8 FDA Pharm Classes

4 items
View in Classification Browser
  • Glucagon-like Peptide-1 (GLP-1) Agonists [MoA]
  • Glucose-dependent Insulinotropic Polypeptide Receptor Agonist [EPC]
  • G-Protein-linked Receptor Interactions [MoA]
  • GLP-1 Receptor Agonist [EPC]

9.9 UN GHS Classification

36 items
View in Classification Browser
  • H302: Harmful if swallowed [Warning: Acute toxicity, oral]
  • H302+H312+H332: Harmful if swallowed, in contact with skin or if inhaled [Warning: Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
  • H312: Harmful in contact with skin [Warning: Acute toxicity, dermal]
  • H315: Causes skin irritation [Warning: Skin corrosion/irritation]
  • H319: Causes serious eye irritation [Warning: Serious eye damage/eye irritation]
Page of 8

9.10 FDA Drug Type and Pharmacologic Classification

5 items
View in Classification Browser
  • HUMAN PRESCRIPTION DRUG
  • GLP-1 Receptor Agonist [EPC]
  • Glucagon-like Peptide-1 (GLP-1) Agonists [MoA]
  • Glucose-dependent Insulinotropic Polypeptide Receptor Agonist [EPC]
  • G-Protein-linked Receptor Interactions [MoA]

9.11 Chemicals in PubChem from Regulatory Sources

5 items
View in Classification Browser
  • Active ingredients
    Active ingredient list for FDA approved drugs.
  • Paediatric drugs and substances
    Drug and substance information from paediatric investigation plans
  • Human drugs and substances
    Human drug and substance information from the public assessment reports
  • Japan PMDA Drug Information
    Japan Pharmaceuticals and Medical Devices Agency (PMDA)
  • Article 57 list
    Drug and substance listed in the EMA Article 57 database which contains all medicines authorised in the European Economic Area (EEA)

9.12 ATCvet Classification

1 item
View in Classification Browser
  • QA10BX16 - Tirzepatide

10 Information Sources

  1. ClinicalTrials.gov
    LICENSE
    The ClinicalTrials.gov data carry an international copyright outside the United States and its Territories or Possessions. Some ClinicalTrials.gov data may be subject to the copyright of third parties; you should consult these entities for any additional terms of use.
    https://clinicaltrials.gov/ct2/about-site/terms-conditions#Use
  2. EU Clinical Trials Register
  3. KEGG
    LICENSE
    Academic users may freely use the KEGG website. Non-academic use of KEGG generally requires a commercial license
    https://www.kegg.jp/kegg/legal.html
    Therapeutic category of drugs in Japan
    http://www.genome.jp/kegg-bin/get_htext?br08301.keg
    Anatomical Therapeutic Chemical (ATC) classification
    http://www.genome.jp/kegg-bin/get_htext?br08303.keg
    Target-based classification of drugs
    http://www.genome.jp/kegg-bin/get_htext?br08310.keg
  4. NIPH Clinical Trials Search of Japan
  5. Thieme Chemistry
    LICENSE
    The Thieme Chemistry contribution within PubChem is provided under a CC-BY-NC-ND 4.0 license, unless otherwise stated.
    https://creativecommons.org/licenses/by-nc-nd/4.0/
  6. PubChem
    Chemicals in PubChem from Regulatory Sources
  7. FDA Pharm Classes
    LICENSE
    Unless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.
    https://www.fda.gov/about-fda/about-website/website-policies#linking
  8. WHO Anatomical Therapeutic Chemical (ATC) Classification
    LICENSE
    Use of all or parts of the material requires reference to the WHO Collaborating Centre for Drug Statistics Methodology. Copying and distribution for commercial purposes is not allowed. Changing or manipulating the material is not allowed.
    https://www.whocc.no/copyright_disclaimer/
  9. GHS Classification (UNECE)
    GHS Classification
    https://unece.org/about-ghs
  10. National Drug Code (NDC) Directory
    LICENSE
    Unless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.
    https://www.fda.gov/about-fda/about-website/website-policies#linking
  11. WHO ATCvet - Classification of Veterinary Medicines
    LICENSE
    Use of all or parts of the material requires reference to the WHO Collaborating Centre for Drug Statistics Methodology. Copying and distribution for commercial purposes is not allowed. Changing or manipulating the material is not allowed.
    https://atcddd.fhi.no/copyright_disclaimer/
  12. PATENTSCOPE (WIPO)
CONTENTS