chempirical

Bromazolam

C17H13BrN4CAS 71368-80-4353.22 g/mol

Open in Covalent MOL file
NNNBrN
Aryl halideImine

Properties

Molecular formula
C17H13BrN4
Molar mass
353.22 g/mol
Exact mass
352.0324 Da
Melting point
272–275 °C
logP
3.69Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
71368-80-4
SMILES
Cc1nnc2n1-c1ccc(Br)cc1C(c1ccccc1)=NC2
InChIKey
KCEIOBKDDQAYCM-UHFFFAOYSA-N
InChI
InChI=1S/C17H13BrN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names
  • 8-Bromo-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-A][1,4]benzodiazepine
  • 4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine, 8-bromo-1-methyl-6-phenyl-
  • 8-Bromo-1-methyl-6-phenyl-4H-s-triazolo[4,3-a][1,4]benzodiazepine

Work with Bromazolam

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

8-Bromo-1-methyl-6-(2-pyridinyl)-4H-(1,2,4)triazolo(4,3-a)(1,4)benzodiazepine39243-02-275 % similar Alprazolam28981-97-772 % similar Triazolam28911-01-557 % similar 8-Chloro-6-(2-fluorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine28910-91-055 % similar 2-Ethyl-9-methyl-4-phenyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine40054-73-754 % similar Flubrotizolam57801-95-347 % similar Estazolam29975-16-444 % similar Fluclotizolam54123-15-842 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook