Chemical Properties of Papaverine (CAS 58-74-2)

Papaverine

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InChI
InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3
InChI Key
XQYZDYMELSJDRZ-UHFFFAOYSA-N
Formula
C20H21NO4
SMILES
COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC
Molecular Weight1
339.38
CAS
58-74-2
Other Names
  • 1-((3,4-Dimethoxyphenyl)methyl)-6,7-dimethoxyisoquinoline
  • 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline
  • 6,7-Dimethoxy-1-veratrylisoquinoline
  • Isoquinoline, 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-
  • Isoquinoline, 6,7-dimethoxy-1-veratryl-
  • NSC 136630
  • Papanerine
  • Papaverin
  • Papaverina
  • Robaxapap
  • S-M-R
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Physical Properties

Property Value Unit Source
log10WS -2.58 Aq. Sol...
logPoct/wat 3.860 Crippen Calculated Property
McVol 259.140 ml/mol McGowan Calculated Property
Inp [2770.00; 2840.00]   Show Hide
Inp 2819.00 NIST
Inp 2818.00 NIST
Inp 2808.00 NIST
Inp 2815.00 NIST
Inp 2840.00 NIST
Inp 2806.00 NIST
Inp 2824.00 NIST
Inp 2800.00 NIST
Inp 2825.00 NIST
Inp 2814.00 NIST
Inp 2825.00 NIST
Inp 2825.00 NIST
Inp 2825.00 NIST
Inp Outlier 2780.00 NIST
Inp 2815.00 NIST
Inp 2820.00 NIST
Inp 2813.00 NIST
Inp 2825.00 NIST
Inp Outlier 2770.00 NIST
Inp 2820.00 NIST
Inp 2815.00 NIST
Tfus 420.40 K Aq. Sol...

Similar Compounds

Isoquinoline, 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-. Moxaverine. Phenindamine M (nor, OH), acetylated. Hispaglabridin A. 12-O-Methylcarnosol. Nomifensine M(HO), diacetylated, isomer # 1. Phenindamine M (OH), acetylated. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 2. Yohimbine. Hydroxy-N-methylcytisine. Dihydromorphinone acetate. Dihydromorphine. Acetyldihydrocodeine. Morphinan-6-ol, 4,5-epoxy-3-methoxy-17-methyl-, (5«alpha»,6«alpha»)-. Methyldihydromorphine.

Find more compounds similar to Papaverine.

Sources

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