VABICASERIN

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C15H20N2
Molecular Weight	228.3327
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of VABICASERIN

Structure Search

SMILES

[H][C@@]12CCC[C@]1([H])C3=C4N(C2)CCNCC4=CC=C3

InChI

InChIKey=NPTIPEQJIDTVKR-STQMWFEESA-N

InChI=1S/C15H20N2/c1-3-11-9-16-7-8-17-10-12-4-2-5-13(12)14(6-1)15(11)17/h1,3,6,12-13,16H,2,4-5,7-10H2/t12-,13-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C15H20N2
Molecular Weight	228.3327
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 17:07:53 UTC 2023` Edited by `admin` on `Sat Dec 16 17:07:53 UTC 2023`
Record UNII	WD9550HPNL
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

VABICASERIN

Official Name

English

(-)-(9AR*,12AS*)-4,5,6,7,9,9A,10,11,12,12A-DECAHYDROCYCLOPENTA(4,5)PYRIDO(3,2,1- JK)(1,4)BENZODIAZEPINE

Common Name

English

CYCLOPENTA(4,5)PYRIDO(3,2,1-JK)(1,4)BENZODIAZEPINE, 4,5,6,7,9,9A,10,11,12,12A-DECAHYDRO-, (9AR,12AS)-REL-(-)-

Common Name

English

CYCLOPENTA(4,5)PYRIDO(3,2,1-JK)(1,4)BENZODIAZEPINE, 1,2,3,4,6,6A,7,8,9,9A-DECAHYDRO-, (6AR,9AS)-

Common Name

English

vabicaserin [INN]

Common Name

English

Vabicaserin [WHO-DD]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C47794

Created by admin on Sat Dec 16 17:07:53 UTC 2023 , Edited by admin on Sat Dec 16 17:07:53 UTC 2023

NCI_THESAURUS

C29728

Created by admin on Sat Dec 16 17:07:53 UTC 2023 , Edited by admin on Sat Dec 16 17:07:53 UTC 2023

Code System Code Type Description

DRUG BANK

DB12071

Created by admin on Sat Dec 16 17:07:53 UTC 2023 , Edited by admin on Sat Dec 16 17:07:53 UTC 2023

PRIMARY

EPA CompTox

DTXSID601336565

Created by admin on Sat Dec 16 17:07:53 UTC 2023 , Edited by admin on Sat Dec 16 17:07:53 UTC 2023

PRIMARY

CAS

887258-95-9

Created by admin on Sat Dec 16 17:07:53 UTC 2023 , Edited by admin on Sat Dec 16 17:07:53 UTC 2023

PRIMARY

MESH

C556517

Created by admin on Sat Dec 16 17:07:53 UTC 2023 , Edited by admin on Sat Dec 16 17:07:53 UTC 2023

PRIMARY

WIKIPEDIA

Vabicaserin

Created by admin on Sat Dec 16 17:07:53 UTC 2023 , Edited by admin on Sat Dec 16 17:07:53 UTC 2023

PRIMARY

FDA UNII

WD9550HPNL

Created by admin on Sat Dec 16 17:07:53 UTC 2023 , Edited by admin on Sat Dec 16 17:07:53 UTC 2023

PRIMARY

NCI_THESAURUS

C132725

Created by admin on Sat Dec 16 17:07:53 UTC 2023 , Edited by admin on Sat Dec 16 17:07:53 UTC 2023

PRIMARY

PUBCHEM

11521822

Created by admin on Sat Dec 16 17:07:53 UTC 2023 , Edited by admin on Sat Dec 16 17:07:53 UTC 2023

PRIMARY

SMS_ID

300000036943

Created by admin on Sat Dec 16 17:07:53 UTC 2023 , Edited by admin on Sat Dec 16 17:07:53 UTC 2023

PRIMARY

ChEMBL

CHEMBL2110670

Created by admin on Sat Dec 16 17:07:53 UTC 2023 , Edited by admin on Sat Dec 16 17:07:53 UTC 2023

PRIMARY

INN

8746

Created by admin on Sat Dec 16 17:07:53 UTC 2023 , Edited by admin on Sat Dec 16 17:07:53 UTC 2023

PRIMARY

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5-HYDROXYTRYPTAMINE RECEPTOR 2C

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Amount:

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VABICASERIN HYDROCHLORIDE

SALT/SOLVATE -> PARENT

Amount:

Related Record Type Details


					J85E8FR23T

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

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					3UE71NM99A

CYCLOPENTA(4,5)PYRIDO(3,2,1-JK)(1,4)BENZODIAZEPIN-12A(9H)-OL, 4,5,6,7,9A,10,11,12-OCTAHYDRO-, (9AS,12AR)-

METABOLITE -> PARENT

Comments:

IN VITRO

Amount:


					O2R1XC2KMZ

(6AR,9AS)-3,4,6,6A,7,8,9,9A-OCTAHYDROCYCLOPENTA(4,5)PYRIDO(3,2,1-JK)(1,4)BENZODIAZEPINE

METABOLITE -> PARENT

Comments:

IN VITRO

Amount:

Related Record Type Details


					WD9550HPNL

ACTIVE MOIETY

Amount: