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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H18N2O
Molecular Weight 242.3162
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (9AR,12AS)-4,5,6,7,9A,11,12,12A-OCTAHYDROCYCLOPENTA(4,5)PYRIDO(3,2,1-JK)(1,4)BENZODIAZEPIN-10(9H)-ONE

SMILES

[H][C@]12CN3CCNCC4=CC=CC(=C34)[C@@]1([H])CCC2=O

InChI

InChIKey=OKKMLGKZQAUSQE-YPMHNXCESA-N
InChI=1S/C15H18N2O/c18-14-5-4-11-12-3-1-2-10-8-16-6-7-17(15(10)12)9-13(11)14/h1-3,11,13,16H,4-9H2/t11-,13+/m1/s1

HIDE SMILES / InChI

Molecular Formula C15H18N2O
Molecular Weight 242.3162
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 16:36:14 GMT 2023
Edited
by admin
on Sat Dec 16 16:36:14 GMT 2023
Record UNII
J85E8FR23T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(9AR,12AS)-4,5,6,7,9A,11,12,12A-OCTAHYDROCYCLOPENTA(4,5)PYRIDO(3,2,1-JK)(1,4)BENZODIAZEPIN-10(9H)-ONE
Systematic Name English
CYCLOPENTA(4,5)PYRIDO(3,2,1-JK)(1,4)BENZODIAZEPIN-10(9H)-ONE, 4,5,6,7,9A,11,12,12A-OCTAHYDRO-, (9AR,12AS)-
Systematic Name English
VABICASERIN METABOLITE P7
Common Name English
Code System Code Type Description
PUBCHEM
58645339
Created by admin on Sat Dec 16 16:36:14 GMT 2023 , Edited by admin on Sat Dec 16 16:36:14 GMT 2023
PRIMARY
FDA UNII
J85E8FR23T
Created by admin on Sat Dec 16 16:36:14 GMT 2023 , Edited by admin on Sat Dec 16 16:36:14 GMT 2023
PRIMARY
CAS
887113-75-9
Created by admin on Sat Dec 16 16:36:14 GMT 2023 , Edited by admin on Sat Dec 16 16:36:14 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
IN VITRO