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Details

Stereochemistry ABSOLUTE
Molecular Formula C12H20N2O4
Molecular Weight 256.2982
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

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

SMILES

CC(=O)N[C@H]1CCCC(C)(C)N(CC(O)=O)C1=O

InChI

InChIKey=POMJQBCLXBRMAW-VIFPVBQESA-N
InChI=1S/C12H20N2O4/c1-8(15)13-9-5-4-6-12(2,3)14(11(9)18)7-10(16)17/h9H,4-7H2,1-3H3,(H,13,15)(H,16,17)/t9-/m0/s1

HIDE SMILES / InChI

Molecular Formula C12H20N2O4
Molecular Weight 256.2982
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 16:46:37 GMT 2023
Edited
by admin
on Sat Dec 16 16:46:37 GMT 2023
Record UNII
MNJ7HUH9KK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(6S)-6-(ACETYLAMINO)HEXAHYDRO-2,2-DIMETHYL-7-OXO-1H-AZEPINE-1-ACETIC ACID
Systematic Name English
GEMOPATRILAT METABOLITE M2
Common Name English
1H-AZEPINE-1-ACETIC ACID, 6-(ACETYLAMINO)HEXAHYDRO-2,2-DIMETHYL-7-OXO-, (6S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
156028065
Created by admin on Sat Dec 16 16:46:38 GMT 2023 , Edited by admin on Sat Dec 16 16:46:38 GMT 2023
PRIMARY
CAS
1714090-83-1
Created by admin on Sat Dec 16 16:46:38 GMT 2023 , Edited by admin on Sat Dec 16 16:46:38 GMT 2023
PRIMARY
FDA UNII
MNJ7HUH9KK
Created by admin on Sat Dec 16 16:46:38 GMT 2023 , Edited by admin on Sat Dec 16 16:46:38 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MAJOR
PLASMA
PARENT -> METABOLITE
FECAL; URINE