BATELAPINE MALEATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H20N6.C4H4O4
Molecular Weight	412.4424
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)\C=C/C(O)=O.CN1CCN(CC1)C2=NC3=CC=CC=C3CC4=NC(C)=NN24

InChI

InChIKey=UNBBRTKPRZDYLP-BTJKTKAUSA-N

InChI=1S/C16H20N6.C4H4O4/c1-12-17-15-11-13-5-3-4-6-14(13)18-16(22(15)19-12)21-9-7-20(2)8-10-21;5-3(6)1-2-4(7)8/h3-6H,7-11H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

HIDE SMILES / InChI

Molecular Formula	C4H4O4
Molecular Weight	116.0722
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Molecular Formula	C16H20N6
Molecular Weight	296.3702
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/7619892 | https://adisinsight.springer.com/drugs/800007160

Batelapine (or CGS 13429), an antipsychotic drug, that was undergoing preclinical development, but the further studied were discontinued

Originator

Approval Year

PubMed

Title	Date	PubMed
High-performance liquid chromatographic method for a clozapine analogue, CGS 13429, and its N-oxide and desmethyl metabolites.	1989 Sep 29	2573611
Determination of in vivo hepatic extraction ratio from in vitro metabolism by rat hepatocytes.	1991 Sep-Oct	1686248

Patents

Sample Use Guides

In Vivo Use Guide

single oral ascending doses ranging from 0.1 to 10 mg in healthy male voluntee

Route of Administration: Oral

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:51:26 GMT 2023` Edited by `admin` on `Fri Dec 15 15:51:26 GMT 2023`
Record UNII	66K342SF4G
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

BATELAPINE MALEATE

Official Name

English

CGS 13429A

Code

English

2-Methyl-5-(4-methyl-1-piperazinyl)-11H-S-triazolo[1,5-c][1,3]benzodiazepine maleate (1:1)

Systematic Name

English

11H-(1,2,4)TRIAZOLO(1,5-C)(1,3)BENZODIAZEPINE, 2-METHYL-5-(4-METHYL-1-PIPERAZINYL)-, (Z)-2-BUTENEDIOATE (1:1)

Systematic Name

English

BATELAPINE MALEATE [USAN]

Common Name

English

2-METHYL-5-(4-METHYL-1-PIPERAZINYL)-11H-(1,2,4)TRIAZOLO(1,5-C)(1,3)BENZODIAZEPINE 2-BUTENDIOIC ACID (Z)

Common Name

English

CGS-13429A

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C29710