Molecular Identity
brotizolam
4-bromo-7-(2-chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene
PubChem CID: 2451
Brotizolam is a thienotriazolodiazepine that is 6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine substituted by bromo, 2-chlorophenyl, and methyl groups at positions 2, 4, and 9, respectively. It is used as a hypnotic in the management of insomnia. It has a role as an anxiolytic drug, an anticonvulsant, a sedative, a muscle relaxant and a GABAA receptor agonist. It is an organobromine compound, a member of monochlorobenzenes and a thienotriazolodiazepine.
2D Structure
Properties
C15H10BrClN4S
Molecular Formula
393.70
Molecular Weight
g/mol
391.9498
Exact Mass
Da
2.8
XLogP
Drug-like (Lipinski: < 5)
71.3
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
4
H-Bond Acceptors
465
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
brotizolamLendorminLendorm57801-81-7MederantilSintonalWE 941BrotizolamumWE-941NimbisanWE-941-BS5XZM1R3DKF2-bromo-4-(2-chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepineDTXSID00226922-Bromo-4-(2-chlorophenyl)-9-methyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine
Data from PubChem (NCBI)
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