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Batelapine

CAT: 0013-GTR19242513-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19242513-02Size:10 mg
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Description
Batelapine (CGS 13429) is a small molecule antipsychotic agent used in neuroscience research. It has been utilized in both in vitro receptor binding studies and in vivo pharmacological models to investigate its mechanism of action and neurochemical effects.
CAS Number
95634-82-5
Smiles
N=1C (=NN2C (=NC=3C=CC=CC3CC12) N4CCN (C) CC4) C
Molecular Formula
C16H20N6
Molecular Weight
296.37
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Batelapine

Batelapine is a small molecule drug. Batelapine has a monoisotopic molecular weight of 296.17 Da.

CAS Number95634-82-5
PubChem CID60717
IUPAC Name2-methyl-5-(4-methylpiperazin-1-yl)-11H-[1,2,4]triazolo[1,5-c][1,3]benzodiazepine
Molecular FormulaC16H20N6
Molecular Weight296.37
XLogP1.8
Topological Polar Surface Area49.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count22
Formal Charge0
Complexity430
SMILES
CC1=NN2C(=N1)CC3=CC=CC=C3N=C2N4CCN(CC4)C
InChI
InChI=1S/C16H20N6/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/h3-6H,7-11H2,1-2H3
InChIKey
PUHMYHQVPODHCZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Batelapine
CAS: 95634-82-5
CID: 60717
Formula: C16H20N6
MW: 296.37
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight296.37
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass296.17494466
Monoisotopic Mass296.17494466
Topological Polar Surface Area49.6 Ų
Heavy Atom Count22
Formal Charge0
Complexity430
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
T202045-01Batelapine

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