Chemical Properties of Hyoscyamine

Hyoscyamine

InChI
InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13?,14?,15?,16-/m1/s1
InChI Key
RKUNBYITZUJHSG-AUSYRVNMSA-N
Formula
C17H23NO3
SMILES
CN1C2CCC1CC(OC(=O)[C@H](CO)c1ccccc1)C2
Molecular Weight1
289.37
Other Names
  • (-)-Atropine
  • (S)-(-)-Hyoscyamine
  • (S)-Atropine
  • 1-Hyoscyamine
  • 1«alpha»H,5«alpha»H-Tropan-3«alpha»-ol, (-)-tropate (ester)
  • Azabicyclo(3.2.1)oct-3-yl ester, (3(S)-endo)-
  • Benzeneacetic acid, «alpha»-(hydroxymethyl)-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, [3(S)-endo]-
  • Cystospaz
  • Daturine
  • Duboisine
  • Hyocyamine
  • L-Hyoscamine
  • L-Hyoscyamine
  • L-Tropine tropate
  • Levsin
  • Levsinex SR
  • Tropic acid, (-)-, ester with tropine
  • Tropic acid, 1«alpha»H,5«alpha»H-tropan-3«alpha»-yl ester, (-)-
  • Tropine, (-)-tropate
  • l-Atropine
  • l-Hyopscyamine
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Physical Properties

Property Value Unit Source
IE 8.13 eV Relay (1.0) Calculated Property
log10WS -1.72 Aq. Solubility Prediction
logPoct/wat 1.931 Crippen Calculated Property
McVol 228.200 ml/mol McGowan Calculated Property
Inp [2125.00; 2210.00]   Show Hide
Inp Outlier 2125.00 NIST
Inp 2174.00 NIST
Inp 2174.00 NIST
Inp 2146.00 NIST
Inp 2205.00 NIST
Inp 2168.00 NIST
Inp 2170.00 NIST
Inp 2146.00 NIST
Inp 2174.00 NIST
Inp 2170.00 NIST
Inp 2210.00 NIST
Inp 2170.00 NIST
Inp 2168.00 NIST
Inp 2192.00 NIST
Inp 2174.00 NIST
Inp 2170.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Atropine. Atropine formate. Atropine acetate. N-Acetyl noratropine. Noratropine. 6-(2-Methylbutyryloxy)-hyoscyamine. 6,7-Dehydrohyoscyamine. 3-Tropoyloxy-6-acetoxytropane. 6«beta»-Hydroxyhyoscyamine. Tropic acid, 6-hydroxy-3-tropanyl ester. 3-Hydroxy-2-phenyl-propionic acid 6-hydroxy-8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester. 3-(2'-Hydroxytropoyloxy)-tropane. 6-Tigloyloxyhyoscyamine. Benzeneacetic acid, «alpha»-[[(trimethylsilyl)oxy]methyl]-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, endo-(.+/-.)-. Scopolamine.

Find more compounds similar to Hyoscyamine.

Sources

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