chempirical

Midazolam maleate

C22H17ClFN3O4CAS 59467-94-6441.84 g/mol

Open in Covalent MOL file
NNClFNOHOOOH
AlkeneAryl halideCarboxylic acidImine

Properties

Molecular formula
C22H17ClFN3O4
Molar mass
441.84 g/mol
Exact mass
441.0892 Da
Melting point
114–117 °C
logP
4.04Crippen estimate
Polar surface area
104.8 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
3

Identifiers

CAS number
59467-94-6
SMILES
Cc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=NC2.O=C(O)/C=CC(=O)O
InChIKey
XYGVIBXOJOOCFR-BTJKTKAUSA-N
InChI
InChI=1S/C18H13ClFN3.C4H4O4/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;5-3(6)1-2-4(7)8/h2-9H,10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

Weigh it out

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

Names and synonyms

8 names
  • 4H-Imidazo[1,5-a][1,4]benzodiazepine, 8-chloro-6-(2-fluorophenyl)-1-methyl-, (2Z)-2-butenedioate (1:1)
  • 4H-Imidazo[1,5-a][1,4]benzodiazepine, 8-chloro-6-(2-fluorophenyl)-1-methyl-, (Z)-2-butenedioate (1:1)
  • Ro 21-3981
  • Dormicum
  • Flormidal
  • Ro 21-3981/001
  • NSC 313452
  • Dormicum (tablet)

Work with Midazolam maleate

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

Midazolam59467-70-882 % similar 8-Chloro-6-(2-fluorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-A][1,4]benzodiazepine28910-91-061 % similar 2-Aminomethyl-7-chloro-2,3-dihydro-5-(2-fluorophenyl)-1H-1,4-benzodiazepine dimaleate59469-29-349 % similar Triazolam28911-01-549 % similar Alprazolam28981-97-746 % similar Desalkylflurazepam2886-65-942 % similar 3-(4-Chloro-2-fluorophenyl)-2-propenoic acid202982-65-836 % similar (2E)-3-(4-Chloro-2-fluorophenyl)-2-propenoic acid312693-55-336 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook