Chemical Properties of Scopolamine (CAS 51-34-3)

Scopolamine

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InChI
InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11-,12?,13?,14?,15-,16+
InChI Key
STECJAGHUSJQJN-MBBCWDQXSA-N
Formula
C17H21NO4
SMILES
CN1C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12
Molecular Weight1
303.35
CAS
51-34-3
Other Names
  • Benzeneacetic acid, «alpha»-(hydroxymethyl)-, 9-methyl-3-oxa-9-azatricyclo[3.3.1.0(2,4)]non-7-yl ester, [7(S)-(1«alpha»,2«beta»,4«beta»,5«alpha»,7«beta»)]-
  • 1«alpha»H,5«alpha»H-Tropan-3«alpha»-ol, 6«beta»,7«beta»-epoxy-, (-)-tropate (ester)
  • (-)-Hyoscine
  • Atrochin
  • Atroquin
  • Hyosceine
  • Hyoscine
  • Scopine tropate
  • Skopolamin
  • SEE
  • 6,7-Epoxytropine tropate
  • 6-«beta»,7-«beta»-Epoxy-3-«alpha»-tropanyl S-(-)-tropate
  • Epoxytropine tropate
  • Hyosol
  • Oscine
  • 3-Oxa-9-azatricyclo(3.3.1.O(2,4))nonan-7-ol, 9-methyl-, tropate
  • Tropic acid, ester with scopine
  • Tropic acid, 9-methyl-3-oxa-9-azatricyclo(3.3.1.O(2,4))non-7-yl ester
  • 9-Methyl-3-oxa-9-azatricyclo[3.3.1.0(2,4)]nonan-7-ol (-)-tropate
  • l-Scopolamine
  • Transderm-Scop
  • 6«beta»,7«beta»-Epoxy-1«alpha»H,5«alpha»H-tropan-3«alpha»-ol (-)-tropate (ester)
  • Scop
  • Scopoderm-TTS
  • Transcop
  • (-)-Scopolamine
  • Scopine (-)-tropate
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Physical Properties

Property Value Unit Source
log10WS -2.03 Crippen Calculated Property
logPoct/wat 0.918 Crippen Calculated Property
McVol 223.210 ml/mol McGowan Calculated Property
Inp [2261.00; 2395.40]   Show Hide
Inp 2315.00 NIST
Inp 2263.00 NIST
Inp 2310.00 NIST
Inp 2280.00 NIST
Inp 2286.00 NIST
Inp 2261.00 NIST
Inp 2315.00 NIST
Inp Outlier 2395.40 NIST
Inp 2303.00 NIST
Inp 2290.00 NIST
Inp 2320.00 NIST
Inp 2292.00 NIST
Inp 2303.00 NIST
Inp 2286.00 NIST
Inp 2280.00 NIST

Similar Compounds

Aposcopolamine. Methylscopolamine. 3-(2'-Hydroxytropoyloxy)-6,7-epoxytropane. 6-Tigloyloxyhyoscyamine. Aponorscopolamine. Norscopolamine. 3-Hydroxy-2-phenyl-propionic acid 6-hydroxy-8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester. 6«beta»-Hydroxyhyoscyamine. Tropic acid, 6-hydroxy-3-tropanyl ester. 6-(2-Methylbutyryloxy)-hyoscyamine. 3-Tropoyloxy-6-acetoxytropane. Tropate, TMS. Benzeneacetic acid, «alpha»-[[(trimethylsilyl)oxy]methyl]-, 9-methyl-3-oxa-9-azatricyclo[3.3.1.0(2,4)]non-7-yl ester, [7(S)-(1«alpha»,2«beta»,4«beta»,5«alpha»,7«beta»)]-. Thymidine, 3'-O-TFA, 5'-O-cyclotetramethylene-isopropylsilyl. Thymidine, 3',5'-bis(O-TMTBSi).

Find more compounds similar to Scopolamine.

Sources

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