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Details

Stereochemistry ABSOLUTE
Molecular Formula C10H18N2O3
Molecular Weight 214.2615
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (6S)-6-AMINOHEXAHYDRO-2,2-DIMETHYL-7-OXO-1H-AZEPINE-1-ACETIC ACID

SMILES

CC1(C)CCC[C@H](N)C(=O)N1CC(O)=O

InChI

InChIKey=YYLWFRVNOFOQSU-ZETCQYMHSA-N
InChI=1S/C10H18N2O3/c1-10(2)5-3-4-7(11)9(15)12(10)6-8(13)14/h7H,3-6,11H2,1-2H3,(H,13,14)/t7-/m0/s1

HIDE SMILES / InChI

Molecular Formula C10H18N2O3
Molecular Weight 214.2615
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:12:17 UTC 2023
Edited
by admin
on Sat Dec 16 16:12:17 UTC 2023
Record UNII
XGR4GJ3JMF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(6S)-6-AMINOHEXAHYDRO-2,2-DIMETHYL-7-OXO-1H-AZEPINE-1-ACETIC ACID
Systematic Name English
1H-AZEPINE-1-ACETIC ACID, 6-AMINOHEXAHYDRO-2,2-DIMETHYL-7-OXO-, (6S)-
Systematic Name English
GEMOPATRILAT METABOLITE M1
Common Name English
Code System Code Type Description
CAS
1714090-82-0
Created by admin on Sat Dec 16 16:12:18 UTC 2023 , Edited by admin on Sat Dec 16 16:12:18 UTC 2023
PRIMARY
PUBCHEM
70124149
Created by admin on Sat Dec 16 16:12:18 UTC 2023 , Edited by admin on Sat Dec 16 16:12:18 UTC 2023
PRIMARY
FDA UNII
XGR4GJ3JMF
Created by admin on Sat Dec 16 16:12:18 UTC 2023 , Edited by admin on Sat Dec 16 16:12:18 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MAJOR
FECAL
PARENT -> METABOLITE
URINE