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40054-68-0

40054-68-0 Structure

40054-68-0 Structure
IdentificationBack Directory
[Name]

Metizolam
[CAS]

40054-68-0
[Synonyms]

Metizolam
Metizolam (1.0 mg/mL in Methanol)
6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine, 4-(2-chlorophenyl)-2-ethyl-
[Molecular Formula]

C16H13ClN4S
[MDL Number]

MFCD30718265
[MOL File]

40054-68-0.mol
[Molecular Weight]

328.82
Chemical PropertiesBack Directory
[Melting point ]

153-154 °C
[Boiling point ]

527.2±60.0 °C(Predicted)
[density ]

1.46±0.1 g/cm3(Predicted)
[storage temp. ]

-10 to -25°C
[solubility ]

DMF: 15mg/mL; DMSO: 15mg/mL; DMSO:PBS (pH 7.2) (1:3): 0.25mg/mL
[form ]

A crystalline solid
[pka]

1.99±0.40(Predicted)
[InChI]

InChI=1S/C16H13ClN4S/c1-2-10-7-12-15(11-5-3-4-6-13(11)17)18-8-14-20-19-9-21(14)16(12)22-10/h3-7,9H,2,8H2,1H3
[InChIKey]

NQSSWDKQLVBUQN-UHFFFAOYSA-N
[SMILES]

N12C=NN=C1CN=C(C1=CC=CC=C1Cl)C1C=C(CC)SC=12
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Exclamation Mark (GHS07)
GHS02,GHS07
[Signal word ]

Danger
[Hazard statements ]

H225-H302+H312+H332-H319
[Precautionary statements ]

P210-P280-P301+P312-P303+P361+P353-P304+P340+P312-P305+P351+P338
Hazard InformationBack Directory
[Uses]

Metizolam can be used as reactant/reagent in in preparation of thienylazole and thienotriazolodiazepine compounds as cholecystokinin antagonists. It can also be used in biological study of platelet-activating factor antagonist.
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