Chemical Properties of Hyoscyamine (CAS 101-31-5)

Hyoscyamine

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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-/m0/s1
InChI Key
RKUNBYITZUJHSG-AUSYRVNMSA-N
Formula
C17H23NO3
SMILES
CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2
Molecular Weight1
289.37
CAS
101-31-5
Other Names
  • (-)-Atropine
  • (S)-(-)-Hyoscyamine
  • (S)-Atropine
  • 1-Hyoscyamine
  • 1«alpha»H,5«alpha»H-Tropan-3«alpha»-ol, (-)-tropate (ester)
  • 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]-
  • 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, (-)-
  • 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
log10WS -1.72 Aq. Sol...
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 2170.00 NIST
Inp 2174.00 NIST

Similar Compounds

Atropine. Atropine formate. Atropine acetate. N-Acetyl noratropine. Noratropine. 6-(2-Methylbutyryloxy)-hyoscyamine. 6,7-Dehydrohyoscyamine. 3-Tropoyloxy-6-acetoxytropane. 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. 3-(2'-Hydroxytropoyloxy)-tropane. 6-Tigloyloxyhyoscyamine. Benzeneacetic acid, «alpha»-[[(trimethylsilyl)oxy]methyl]-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, endo-(.+/-.)-. Methylscopolamine.

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.