Batelapine Maleate

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Basic information

CAS: 120360-10-3
Standard SMILES: Cc1nc2n(n1)C(N1CCN(C)CC1)=Nc1ccccc1C2.O=C(O)/C=C\C(=O)O
InChIKey: UNBBRTKPRZDYLP-BTJKTKAUSA-N
Molecular formula: C20H24N6O4
Average molar mass: 412.4 g/mol
Monoisotopic mass: 412.18590327

Overview

See also: Batelapine (has active moiety).

Names & identifiers

Preferred name: Batelapine Maleate
IUPAC: (Z)-but-2-enedioic acid;2-methyl-5-(4-methylpiperazin-1-yl)-11H-[1,2,4]triazolo[1,5-c][1,3]benzodiazepine

Names & synonyms

BATELAPINE MALEATEBatelapine maleate [USAN]120360-10-3CGS 13429AUNII-66K342SF4G66K342SF4G11H-(1,2,4)Triazolo(1,5-c)(1,3)benzodiazepine, 2-methyl-5-(4-methyl-1-piperazinyl)-, (Z)-2-butenedioate (1:1)CGS-13429A2-Methyl-5-(4-methyl-1-piperazinyl)-11H-s-triazolo(1,5-c)(1,3)benzodiazepine maleate (1:1)2-METHYL-5-(4-METHYL-1-PIPERAZINYL)-11H-(1,2,4)TRIAZOLO(1,5-C)(1,3)BENZODIAZEPINE 2-BUTENDIOIC ACID (Z)2-Methyl-5-(4-methyl-1-piperazinyl)-11H-S-triazolo[1,5-c][1,3]benzodiazepine maleate (1:1)RefChem:116655

Show more names

SCHEMBL125356CHEMBL2105924UNBBRTKPRZDYLP-BTJKTKAUSA-NQ272640012-methyl-5-(4-methyl-1-piperazinyl)-11H-1,2,4-triazolo[2,3-c][1,3]-benzodiazepine monomaleate

Database identifiers

CAS: 120360-10-3
PubChem CID: 6435804
ChEMBL: CHEMBL2105924
UNII: 66K342SF4G

Properties

Computed structural properties

Topological polar surface area: 124 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 3
Heavy atoms: 30
Formal charge: 0
Complexity: 549

Related reactions

1 records

New reaction record

HRID 1982128As productuspto-grants-1986_06

Compound notes

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