chempirical

Bromazepam

C14H10BrN3OCAS 1812-30-2316.16 g/mol

Open in Covalent MOL file
OHNBrNN
Aryl halideImine

Properties

Molecular formula
C14H10BrN3O
Molar mass
316.16 g/mol
Exact mass
315.0007 Da
Melting point
237–238 °C
logP
3.28Crippen estimate
Polar surface area
57.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
1812-30-2
SMILES
OC1=Nc2ccc(Br)cc2C(c2ccccn2)=NC1
InChIKey
VMIYHDSEFNYJSL-UHFFFAOYSA-N
InChI
InChI=1S/C14H10BrN3O/c15-9-4-5-11-10(7-9)14(17-8-13(19)18-11)12-3-1-2-6-16-12/h1-7H,8H2,(H,18,19)

Weigh it out

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

Names and synonyms

20 names · show all
  • 2H-1,4-Benzodiazepin-2-one, 7-bromo-1,3-dihydro-5-(2-pyridinyl)-
  • 2H-1,4-Benzodiazepin-2-one, 7-bromo-1,3-dihydro-5-(2-pyridyl)-
  • 7-Bromo-1,3-dihydro-5-(2-pyridinyl)-2H-1,4-benzodiazepin-2-one
  • 7-Bromo-1,3-dihydro-5-(2-pyridyl)-2H-1,4-benzdiazepin-2-one
  • Ro 5-3350
  • 7-Bromo-1,3-dihydro-5-(2-pyridyl)-2H-1,4-benzodiazepin-2-one
  • Lexotanil
  • KL 001
  • Lexilium
  • Lexomil
  • Compendium
  • Lexotan
  • Creosedin
  • Normoc
  • Durazanil
  • NSC 140669
  • Calmepam
  • Lextonil
  • Neoopt
  • 7-Bromo-(2-Pyridyl)-1H-1,4-benzodiazepine-2(3H)-one

Work with Bromazepam

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

Phenazepam51753-57-264 % similar 8-Bromo-1-methyl-6-(2-pyridinyl)-4H-[1,2,4]triazolo[4,3-A][1,4]benzodiazepine39243-02-248 % similar Delorazepam2894-67-945 % similar 1,3-Dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one2898-08-044 % similar Desalkylflurazepam2886-65-943 % similar Nitrazepam146-22-542 % similar Clonazepam1622-61-340 % similar 2-Pyridinecarboxamide1452-77-335 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook