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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H29N3O6
Molecular Weight 467.5143
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-nitroso-quinapril

SMILES

CCOC(=O)[C@H](CCC1=CC=CC=C1)N(N=O)[C@@H](C)C(=O)N2CC3=C(C[C@H]2C(O)=O)C=CC=C3

InChI

InChIKey=KZFWTUMCFKQRJK-HSQYWUDLSA-N
InChI=1S/C25H29N3O6/c1-3-34-25(32)21(14-13-18-9-5-4-6-10-18)28(26-33)17(2)23(29)27-16-20-12-8-7-11-19(20)15-22(27)24(30)31/h4-12,17,21-22H,3,13-16H2,1-2H3,(H,30,31)/t17-,21-,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H29N3O6
Molecular Weight 467.5143
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:22:38 GMT 2023
Edited
by admin
on Sat Dec 16 18:22:38 GMT 2023
Record UNII
JS7429Q973
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-nitroso-quinapril
Common Name English
3(1H)-ISOQUINOLINECARBOXYLIC ACID, 2-((2S)-2-(((1S)-1-(ETHOXYCARBONYL)-3-PHENYLPROPYL)NITROSOAMINO)-1-OXOPROPYL)-3,4-DIHYDRO-(3S)-
Systematic Name English
Code System Code Type Description
FDA UNII
JS7429Q973
Created by admin on Sat Dec 16 18:22:38 GMT 2023 , Edited by admin on Sat Dec 16 18:22:38 GMT 2023
PRIMARY
PUBCHEM
163183731
Created by admin on Sat Dec 16 18:22:38 GMT 2023 , Edited by admin on Sat Dec 16 18:22:38 GMT 2023
PRIMARY
Related Record Type Details
PARENT->IMPURITY GENOTOXIC