Chemical Properties of Clobazam (CAS 22316-47-8)

Clobazam

InChI
InChI=1S/C16H13ClN2O2/c1-18-13-8-7-11(17)9-14(13)19(16(21)10-15(18)20)12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChI Key
CXOXHMZGEKVPMT-UHFFFAOYSA-N
Formula
C16H13ClN2O2
SMILES
CN1C(=O)CC(=O)N(c2ccccc2)c2cc(Cl)ccc21
Molecular Weight1
300.74
CAS
22316-47-8
Other Names
  • 1H-1,5-Benzodiazepine-2,4(3H,5H)-dione, 7-chloro-1-methyl-5-phenyl-
  • Chlorepin
  • Clorepin
  • H 4723
  • HR 376
  • LM 2717
  • RU-4723
  • Urbanyl
  • 1-Phenyl-5-methyl-8-chloro-1,2,4,5-tetrahydro-2,4-dioxo-3H-1,5-benzodiazepine
  • 7-Chloro-1-methyl-5-phenyl-1H-1,5-benzodiazepine-2,4(3H,5H)-dione
  • Frisium
  • Urbadan
  • Clobazepam
  • NSC 336279
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Physical Properties

Property Value Unit Source
ω 0.6729 Relay (1.0) Calculated Property
ΔfG° 123.43 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -86.07 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 108.30 kJ/mol Relay (1.0) Calculated Property
IE 7.82 eV Relay (1.0) Calculated Property
log10WS -3.89 Relay (1.0) Calculated Property
logPoct/wat 3.371 Crippen Calculated Property
McVol 213.260 ml/mol McGowan Calculated Property
Pc 2929.30 kPa Relay (1.0-beta) Calculated Property
Inp [2557.00; 2647.60]   Show Hide
Inp 2582.00 NIST
Inp 2565.00 NIST
Inp Outlier 2647.60 NIST
Inp 2605.00 NIST
Inp 2582.00 NIST
Inp 2582.00 NIST
Inp 2559.00 NIST
Inp 2557.00 NIST
Inp 2582.00 NIST
Tboil 688.20 K Relay (1.0) Calculated Property
Tc 1023.62 K Relay (1.0) Calculated Property
Tfus 455.10 ± 0.50 K NIST
Vc 0.758 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Triflubazam. Metergoline. Erythromycin, ethyl carbonate. Aucubin, hexakis(trimethylsilyl) ether. cyclomegistine. norbormide. ethyl eburnamenine-14-carboxylate. Formosanan-16-carboxylic acid, 19-methyl-2-oxo-, methyl ester, (19«alpha»)-. (1'S,3R,4a'S,5a'S,10a'S)-Methyl 1'-methyl-2-oxo-1',4a',5',5a',7',8',10',10a'-octahydrospiro[indoline-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate. 3'-Deoxyguanosine, tris(trimethylsilyl) deriv.. Thymidine, 3'-O-acetyl, 5'-O-TBDMS. (2-Hydroxy-3-phenyl-1,2-dihydroquinoxalin-1-yl)phenyl(3-phenyl-1-benzyl-1,2-dihydroquinoxalin-2-yl)methane. Poligodial + 3-methoxy-4,5-methylenedioxyamphetamine (R,S) adduct, # 2. Poligodial + 3-methoxy-4,5-methylenedioxyamphetamine (R,S) adduct, # 1. (E)-Methyl 2-((1'R,6'R,7'S,8a'S)-6'-ethyl-2-oxo-3',5',6',7',8',8a'-hexahydro-2'H-spiro[indoline-3,1'-indolizin]-7'-yl)-3-methoxyacrylate.

Find more compounds similar to Clobazam.

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.