U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C32H31ClN6O3
Molecular Weight 583.0811
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of PYROTINIB

SMILES

CCOc1cc2c(cc1N=C(/C(/[H])=C(\[H])/[C@@]3([H])CCCN3C)O)c(=Nc4ccc(c(c4)Cl)OCc5ccccn5)c(C#N)c[nH]2

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 583.0811
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 Jun 26 03:40:16 UTC 2021
Edited
by admin
on Sat Jun 26 03:40:16 UTC 2021
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 Jun 26 03:40:16 UTC 2021 , Edited by admin on Sat Jun 26 03:40:16 UTC 2021
NCI_THESAURUS C1967
Created by admin on Sat Jun 26 03:40:16 UTC 2021 , Edited by admin on Sat Jun 26 03:40:16 UTC 2021
NCI_THESAURUS C1742
Created by admin on Sat Jun 26 03:40:16 UTC 2021 , Edited by admin on Sat Jun 26 03:40:16 UTC 2021
Code System Code Type Description
ChEMBL
CHEMBL3544956
Created by admin on Sat Jun 26 03:40:16 UTC 2021 , Edited by admin on Sat Jun 26 03:40:16 UTC 2021
PRIMARY
FDA UNII
CJN36EQM0H
Created by admin on Sat Jun 26 03:40:16 UTC 2021 , Edited by admin on Sat Jun 26 03:40:16 UTC 2021
PRIMARY
DRUG BANK
DB14993
Created by admin on Sat Jun 26 03:40:16 UTC 2021 , Edited by admin on Sat Jun 26 03:40:16 UTC 2021
PRIMARY
EVMPD
SUB195599
Created by admin on Sat Jun 26 03:40:16 UTC 2021 , Edited by admin on Sat Jun 26 03:40:16 UTC 2021
PRIMARY
CAS
1269662-73-8
Created by admin on Sat Jun 26 03:40:16 UTC 2021 , Edited by admin on Sat Jun 26 03:40:16 UTC 2021
PRIMARY
NCI_THESAURUS
C111895
Created by admin on Sat Jun 26 03:40:16 UTC 2021 , Edited by admin on Sat Jun 26 03:40:16 UTC 2021
PRIMARY
PUBCHEM
51039030
Created by admin on Sat Jun 26 03:40:16 UTC 2021 , Edited by admin on Sat Jun 26 03:40:16 UTC 2021
PRIMARY
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