PYROTINIB

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Investigational

Investigational

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H31ClN6O3
Molecular Weight	583.08
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of PYROTINIB

Structure Search

SMILES

CCOC1=CC2=C(C=C1NC(=O)\C=C\[C@H]3CCCN3C)C(NC4=CC(Cl)=C(OCC5=CC=CC=N5)C=C4)=C(C=N2)C#N

InChI

InChIKey=SADXACCFNXBCFY-IYNHSRRRSA-N

InChI=1S/C32H31ClN6O3/c1-3-41-30-17-27-25(16-28(30)38-31(40)12-10-24-8-6-14-39(24)2)32(21(18-34)19-36-27)37-22-9-11-29(26(33)15-22)42-20-23-7-4-5-13-35-23/h4-5,7,9-13,15-17,19,24H,3,6,8,14,20H2,1-2H3,(H,36,37)(H,38,40)/b12-10+/t24-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C32H31ClN6O3
Molecular Weight	583.08
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Patents

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:51:12 GMT 2023` Edited by `admin` on `Sat Dec 16 10:51:12 GMT 2023`
Record UNII	CJN36EQM0H
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

PYROTINIB

Common Name

English

Pyrotinib [WHO-DD]

Common Name

English

2-PROPENAMIDE, N-(4-((3-CHLORO-4-(2-PYRIDINYLMETHOXY)PHENYL)AMINO)-3-CYANO-7-ETHOXY-6-QUINOLINYL)-3-((2R)-1-METHYL-2-PYRROLIDINYL)-, (2E)-

Systematic Name

English

SHR-1258

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C129825

Created by admin on Sat Dec 16 10:51:12 GMT 2023 , Edited by admin on Sat Dec 16 10:51:12 GMT 2023

NCI_THESAURUS

C1967

Created by admin on Sat Dec 16 10:51:12 GMT 2023 , Edited by admin on Sat Dec 16 10:51:12 GMT 2023

NCI_THESAURUS

C1742

Created by admin on Sat Dec 16 10:51:12 GMT 2023 , Edited by admin on Sat Dec 16 10:51:12 GMT 2023

Code System Code Type Description

ChEMBL

CHEMBL3544956

Created by admin on Sat Dec 16 10:51:12 GMT 2023 , Edited by admin on Sat Dec 16 10:51:12 GMT 2023

PRIMARY

FDA UNII

CJN36EQM0H

Created by admin on Sat Dec 16 10:51:12 GMT 2023 , Edited by admin on Sat Dec 16 10:51:12 GMT 2023

PRIMARY

DRUG BANK

DB14993

Created by admin on Sat Dec 16 10:51:12 GMT 2023 , Edited by admin on Sat Dec 16 10:51:12 GMT 2023

PRIMARY

SMS_ID

100000181791

Created by admin on Sat Dec 16 10:51:12 GMT 2023 , Edited by admin on Sat Dec 16 10:51:12 GMT 2023

PRIMARY

EVMPD

SUB195599

Created by admin on Sat Dec 16 10:51:12 GMT 2023 , Edited by admin on Sat Dec 16 10:51:12 GMT 2023

PRIMARY

CAS

1269662-73-8

Created by admin on Sat Dec 16 10:51:12 GMT 2023 , Edited by admin on Sat Dec 16 10:51:12 GMT 2023

PRIMARY

NCI_THESAURUS

C111895

Created by admin on Sat Dec 16 10:51:12 GMT 2023 , Edited by admin on Sat Dec 16 10:51:12 GMT 2023

PRIMARY

PUBCHEM

51039030

Created by admin on Sat Dec 16 10:51:12 GMT 2023 , Edited by admin on Sat Dec 16 10:51:12 GMT 2023

PRIMARY

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PYROTINIB

ACTIVE MOIETY