chempirical

Midazolam

C18H13ClFN3CAS 59467-70-8325.77 g/mol

Open in Covalent MOL file
NNClFN
Aryl halideImine

Properties

Molecular formula
C18H13ClFN3
Molar mass
325.77 g/mol
Exact mass
325.0782 Da
Melting point
159 °C
logP
4.32Crippen estimate
Polar surface area
30.2 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
59467-70-8
SMILES
Cc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=NC2
InChIKey
DDLIGBOFAVUZHB-UHFFFAOYSA-N
InChI
InChI=1S/C18H13ClFN3/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13/h2-9H,10H2,1H3

Weigh it out

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

Names and synonyms

13 names · show all
  • 4H-Imidazo[1,5-a][1,4]benzodiazepine, 8-chloro-6-(2-fluorophenyl)-1-methyl-
  • 8-Chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine
  • Dormicum
  • Midosed
  • Midanium
  • Dazolam
  • Sumianxin
  • Midacom
  • Mezolam
  • Gobbizolam
  • ADV 6209
  • Ozaline
  • Buccolam

Work with Midazolam

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

Midazolam maleate59467-94-682 % similar 8-Chloro-6-(2-fluorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-A][1,4]benzodiazepine28910-91-073 % similar Triazolam28911-01-558 % similar Alprazolam28981-97-755 % similar Desalkylflurazepam2886-65-944 % similar Estazolam29975-16-439 % similar Quazepam36735-22-539 % similar 8-Bromo-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-A][1,4]benzodiazepine71368-80-439 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook