Chemical Properties of Datumetine (CAS 67078-20-0)

Datumetine

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InChI
InChI=1S/C16H21NO3/c1-17-12-5-6-13(17)10-15(9-12)20-16(18)11-3-7-14(19-2)8-4-11/h3-4,7-8,12-13,15H,5-6,9-10H2,1-2H3
InChI Key
JOROTINCCHPFDK-UHFFFAOYSA-N
Formula
C16H21NO3
SMILES
COc1ccc(C(=O)OC2CC3CCC(C2)N3C)cc1
Molecular Weight1
275.34
CAS
67078-20-0
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Physical Properties

Property Value Unit Source
log10WS -3.46 Crippen Calculated Property
logPoct/wat 2.477 Crippen Calculated Property
McVol 214.110 ml/mol McGowan Calculated Property
Inp 2207.00 NIST

Similar Compounds

O-(4-Hydroxybenzoyl)tropine, O-methyl-. 3«alpha»-(4-Hydroxybenzoyloxy)tropane. 3«beta»-(4-Hydroxybenzoyloxy)tropane. O-(4-Hydroxybenzoyl)tropine, O-trimethylsilyl-. Tropacocaine. Benzoyltropeine. Phyllalbine. Concneorine. 8-Methyl-8-azabicyclo[3.2.1]octan-3-yl 3-chlorobenzoate. Merresectine A. 3-«alpha»-(3-Hydroxybenzoyl)nortropin. 3-(Hydroxybenzoyloxy)nortropane. 3«alpha»-Nicotinoyloxytropane. 3-«beta»-Nicotinyltropin. cineverine.

Find more compounds similar to Datumetine.

Sources

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