Chemical Properties of Vobassan-17-oic acid, 4-demethyl-3-oxo-, methyl ester (CAS 2673-40-7)

Vobassan-17-oic acid, 4-demethyl-3-oxo-, methyl ester

InChI
InChI=1S/C20H22N2O3/c1-3-11-10-21-16-8-14-12-6-4-5-7-15(12)22-19(14)17(23)9-13(11)18(16)20(24)25-2/h3-7,13,16,18,21-22H,8-10H2,1-2H3/b11-3+
InChI Key
NKTORRNHKYVXSU-QDEBKDIKSA-N
Formula
C20H22N2O3
SMILES
CC=C1CNC2Cc3c([nH]c4ccccc34)C(=O)CC1C2C(=O)OC
Molecular Weight1
338.40
CAS
2673-40-7
Other Names
  • Perivin
  • Perivine
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Physical Properties

Property Value Unit Source
ω 0.6630 Relay (1.0) Calculated Property
ΔfG° 77.39 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -303.64 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 144.07 kJ/mol Relay (1.0) Calculated Property
IE 7.78 eV Relay (1.0) Calculated Property
log10WS -3.06 Relay (1.0) Calculated Property
logPoct/wat 2.138 Crippen Calculated Property
McVol 256.690 ml/mol McGowan Calculated Property
Pc 1501.71 kPa Relay (1.0-beta) Calculated Property
Tboil 723.59 K Relay (1.0) Calculated Property
Tc 1057.99 K Relay (1.0) Calculated Property
Tfus 477.15 K Relay (1.0) Calculated Property
Vc 0.884 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Nalmefene. Galantamin. Strychnine. Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, acetate (ester), (5«alpha»,6«alpha»)-. 3-propionyl-morphine. [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»)-. 3-O,6-O,N-Triacetylnormorphine. Guanosine, N-trimethylsilyl-, 2',3',5'-tris(trimethylsilyl) ether. N6-(cyclotetramethylene-tertbutylsilyl)-Adenosine, 2',3',5'-tris-O-TBDMS. Norcodeine. Brucine. Deserpidine. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. Benzylmorphine.

Find more compounds similar to Vobassan-17-oic acid, 4-demethyl-3-oxo-, methyl ester.

Sources

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