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Details

Stereochemistry ACHIRAL
Molecular Formula C16H20N6.C4H4O4
Molecular Weight 412.4424
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of BATELAPINE MALEATE

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
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
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

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

Originator

Approval Year

PubMed

PubMed

TitleDatePubMed
High-performance liquid chromatographic method for a clozapine analogue, CGS 13429, and its N-oxide and desmethyl metabolites.
1989 Sep 29
Patents

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 Tue Oct 22 06:07:59 UTC 2019
Edited
by admin
on Tue Oct 22 06:07:59 UTC 2019
Record UNII
66K342SF4G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BATELAPINE MALEATE
USAN  
USAN  
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
Created by admin on Tue Oct 22 06:07:59 UTC 2019 , Edited by admin on Tue Oct 22 06:07:59 UTC 2019
Code System Code Type Description
PUBCHEM
6435804
Created by admin on Tue Oct 22 06:07:59 UTC 2019 , Edited by admin on Tue Oct 22 06:07:59 UTC 2019
PRIMARY
CAS
120360-10-3
Created by admin on Tue Oct 22 06:07:59 UTC 2019 , Edited by admin on Tue Oct 22 06:07:59 UTC 2019
PRIMARY
ChEMBL
CHEMBL2110765
Created by admin on Tue Oct 22 06:07:59 UTC 2019 , Edited by admin on Tue Oct 22 06:07:59 UTC 2019
PRIMARY
NCI_THESAURUS
C76437
Created by admin on Tue Oct 22 06:07:59 UTC 2019 , Edited by admin on Tue Oct 22 06:07:59 UTC 2019
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
PARENT -> SALT/SOLVATE
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ACTIVE MOIETY