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Basic information
- CAS
95634-82-5- Standard SMILES
Cc1nc2n(n1)C(N1CCN(C)CC1)=Nc1ccccc1C2- InChIKey
PUHMYHQVPODHCZ-UHFFFAOYSA-N- Molecular formula
- C16H20N6
- Average molar mass
- 296.37 g/mol
- Monoisotopic mass
- 296.17494466
Names & identifiers
- Preferred name
- Batelapine
- IUPAC
- 2-methyl-5-(4-methylpiperazin-1-yl)-11H-[1,2,4]triazolo[1,5-c][1,3]benzodiazepine
- English name
- batelapine
- Molecular formula
- C16H20N6
- Molecular weight
- 296.376
Names & synonyms
BATELAPINEBatelapinaBatelapinum95634-82-5P71TE299SGDTXSID5024190611H-(1,2,4)Triazolo(1,5-c)(1,3)benzodiazepine, 2-methyl-5-(4-methyl-1-piperazinyl)-CGS-13429RefChem:116654DTXCID401643972-methyl-5-(4-methyl-1-piperazinyl)-11H-(1,2,4)triazolo(1,5-C)(1,3)benzodiazepineBatelapine [INN]
Show more names
2-methyl-5-(4-methylpiperazin-1-yl)-11H-[1,2,4]triazolo[1,5-c][1,3]benzodiazepineBatelapinum [INN-Latin]Batelapina [INN-Spanish]UNII-P71TE299SGorb2815661SCHEMBL2056519CHEMBL2110765SCHEMBL29710904
Database identifiers
- CAS
95634-82-5- PubChem CID
- 60717
- DTXSID
DTXSID50241906- ChEMBL
CHEMBL2110765- UNII
- P71TE299SG
- Nikkaji
- J454.088C
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 49.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 430
Physicochemical properties
- FDA UNII
- 71 TE299SG · P71TE299SG
Chemistry & industry
Applications
UsesAntipsychotic.
Suppliers1 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
Related reactions
5 records
Compound notes
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