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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H18N2
Molecular Weight 226.3168
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (6AR,9AS)-3,4,6,6A,7,8,9,9A-OCTAHYDROCYCLOPENTA(4,5)PYRIDO(3,2,1-JK)(1,4)BENZODIAZEPINE

SMILES

[H][C@@]12CCC[C@]1([H])C3=C4N(C2)CCN=CC4=CC=C3

InChI

InChIKey=DODZGZGCGDNGOG-STQMWFEESA-N
InChI=1S/C15H18N2/c1-3-11-9-16-7-8-17-10-12-4-2-5-13(12)14(6-1)15(11)17/h1,3,6,9,12-13H,2,4-5,7-8,10H2/t12-,13-/m0/s1

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
(6AR,9AS)-3,4,6,6A,7,8,9,9A-OCTAHYDROCYCLOPENTA(4,5)PYRIDO(3,2,1-JK)(1,4)BENZODIAZEPINE
Systematic Name English
VABICASERIN METABOLITE P6
Common Name English
CYCLOPENTA(4,5)PYRIDO(3,2,1-JK)(1,4)BENZODIAZEPINE, 3,4,6,6A,7,8,9,9A-OCTAHYDRO-, (6AR,9AS)-
Systematic Name English
Code System Code Type Description
PUBCHEM
58645330
Created by admin on Sat Dec 16 16:34:11 GMT 2023 , Edited by admin on Sat Dec 16 16:34:11 GMT 2023
PRIMARY
FDA UNII
O2R1XC2KMZ
Created by admin on Sat Dec 16 16:34:11 GMT 2023 , Edited by admin on Sat Dec 16 16:34:11 GMT 2023
PRIMARY
CAS
887113-77-1
Created by admin on Sat Dec 16 16:34:11 GMT 2023 , Edited by admin on Sat Dec 16 16:34:11 GMT 2023
PRIMARY
PARENT (METABOLITE)
Structure of VABICASERIN
NIH
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