Chemical Properties of Flumazenil (CAS 78755-81-4)

Flumazenil

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InChI
InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
InChI Key
OFBIFZUFASYYRE-UHFFFAOYSA-N
Formula
C15H14FN3O3
SMILES
CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(F)ccc1-2
Molecular Weight1
303.29
CAS
78755-81-4
Other Names
  • 4H-Imidazo(1,5-a)(1,4)benzodiazepine-3-carboxylic acid, 8-fluoro-5,6-dihydro-5-methyl-6-oxo-, ethyl ester
  • Anexate
  • Flumazepil
  • Ro-15-1788
  • Ethyl 8-fluoro-5,6-dihydro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
  • Ethyl 8-fluoro-5,6-dihydro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-carboxylate
  • Lanexat
  • Mazicon
  • Ro-15-1788/000
  • Romazicon
  • Ro 151788
  • flumazenil (Ro-15-1788)
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Physical Properties

Property Value Unit Source
ω 0.7707 Relay (... Calculated Property
ΔfG° -137.59 kJ/mol Relay (... Calculated Property ⚠️
ΔfH°gas -489.94 kJ/mol Relay (... Calculated Property
ΔvapH° 101.72 kJ/mol Relay (... Calculated Property
IE 8.19 eV Relay (... Calculated Property
log10WS -3.64 Relay (... Calculated Property
logPoct/wat 1.774 Crippen Calculated Property
McVol 208.850 ml/mol McGowan Calculated Property
Pc 2035.47 kPa Relay (... Calculated Property ⚠️
Inp 2560.00 NIST
Tboil 683.34 K Relay (... Calculated Property
Tc 971.75 K Relay (... Calculated Property
Tfus 425.25 K Relay (... Calculated Property
Vc 0.791 m3/kmol Relay (... Calculated Property

Similar Compounds

Tetrabenazine M (desmethyl-HO-), monoacetylated. (2-Hydroxy-3-phenyl-1,2-dihydroquinoxalin-1-yl)phenyl(3-phenyl-1-benzyl-1,2-dihydroquinoxalin-2-yl)methane. 3-O,6-O,N-Triacetylnormorphine. Benzylmorphine. Nicocodine. Buprenorphine. Dihydroergokryptine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine.

Find more compounds similar to Flumazenil.

Sources

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