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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

O=C1CC[C@H]2[C@@H]1CN3CCNCC4=CC=CC2=C34

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

Approval Year

Unknown
149124
Name Type Language
VABICASERIN METABOLITE P7
Preferred Name English
(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
Code System Code Type Description
PUBCHEM
58645339
Created by admin on Wed Apr 02 08:06:31 GMT 2025 , Edited by admin on Wed Apr 02 08:06:31 GMT 2025
PRIMARY
FDA UNII
J85E8FR23T
Created by admin on Wed Apr 02 08:06:31 GMT 2025 , Edited by admin on Wed Apr 02 08:06:31 GMT 2025
PRIMARY
CAS
887113-75-9
Created by admin on Wed Apr 02 08:06:31 GMT 2025 , Edited by admin on Wed Apr 02 08:06:31 GMT 2025
PRIMARY
PARENT (METABOLITE)
Structure of VABICASERIN
NIH
NCATS
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