Midazolam

C₁₈H₁₃ClFN₃CAS 59467-70-8325.77 g/mol

Open in Covalent MOL file

Aryl halide Imine

Properties

Molecular formula: C₁₈H₁₃ClFN₃
Molar mass: 325.77 g/mol
Exact mass: 325.0782 Da
Melting point: 159 °C
pKa: 5.5 (calc)
logP: 4.32Crippen estimate
Polar surface area: 30.2 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed77.9% of notifiers
H302 Harmful if swallowed22.1% of notifiers
H312 Harmful in contact with skin28.6% of notifiers
H317 May cause an allergic skin reaction27.3% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled27.3% of notifiers
H361 Suspected of damaging fertility or the unborn child16.9% of notifiers
H362 May cause harm to breast-fed children14.3% of notifiers
H411 Toxic to aquatic life with long lasting effects23.4% of notifiers

Aggregated from 77 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P233, P260, P261, P263, P264, P270, P271, P272, P273, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P333+P317, P342+P316, P362+P364, P391, P403, P405, P501

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Midazolam maleate59467-94-6Salt

Similar compounds

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 Fluclotizolam54123-15-848 % similar Desalkylflurazepam2886-65-944 % similar Flubrotizolam57801-95-344 % similar Estazolam29975-16-439 % similar Quazepam36735-22-539 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook