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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H34N2O5
Molecular Weight 430.5372
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ((3S)-3-(((1S)-3-CYCLOHEXYL-1-(ETHOXYCARBONYL)PROPYL)AMINO)-2-OXO-2,3,4,5-TETRAHYDRO-1H-1-BENZAZEPIN-1-YL)ACETIC ACID

SMILES

CCOC(=O)[C@H](CCC1CCCCC1)N[C@H]2CCC3=C(C=CC=C3)N(CC(O)=O)C2=O

InChI

InChIKey=QIUMIMWTDKEVBO-PMACEKPBSA-N
InChI=1S/C24H34N2O5/c1-2-31-24(30)20(14-12-17-8-4-3-5-9-17)25-19-15-13-18-10-6-7-11-21(18)26(23(19)29)16-22(27)28/h6-7,10-11,17,19-20,25H,2-5,8-9,12-16H2,1H3,(H,27,28)/t19-,20-/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H34N2O5
Molecular Weight 430.5372
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 06:58:27 GMT 2023
Edited
by admin
on Sat Dec 16 06:58:27 GMT 2023
Record UNII
9R78150JQU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
((3S)-3-(((1S)-3-CYCLOHEXYL-1-(ETHOXYCARBONYL)PROPYL)AMINO)-2-OXO-2,3,4,5-TETRAHYDRO-1H-1-BENZAZEPIN-1-YL)ACETIC ACID
Systematic Name English
BENAZEPRIL HYDROCHLORIDE IMPURITY D [EP IMPURITY]
Common Name English
1H-1-BENZAZEPINE-1-ACETIC ACID, 3-((3-CYCLOHEXYL-1-(ETHOXYCARBONYL)PROPYL)AMINO)-2,3,4,5-TETRAHYDRO-2-OXO-, (S-(R*,R*))-
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID80149921
Created by admin on Sat Dec 16 06:58:27 GMT 2023 , Edited by admin on Sat Dec 16 06:58:27 GMT 2023
PRIMARY
CAS
112110-48-2
Created by admin on Sat Dec 16 06:58:27 GMT 2023 , Edited by admin on Sat Dec 16 06:58:27 GMT 2023
PRIMARY
FDA UNII
9R78150JQU
Created by admin on Sat Dec 16 06:58:27 GMT 2023 , Edited by admin on Sat Dec 16 06:58:27 GMT 2023
PRIMARY
PUBCHEM
71587421
Created by admin on Sat Dec 16 06:58:27 GMT 2023 , Edited by admin on Sat Dec 16 06:58:27 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
Impurity D: not more than the area of the principal peak in the chromatogram obtained with reference solution (c) (0.2 per cent)