Chemical Properties of Homatropine (CAS 87-00-3)

Homatropine

InChI
InChI=1S/C16H21NO3/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11/h2-6,12-15,18H,7-10H2,1H3
InChI Key
ZTVIKZXZYLEVOL-UHFFFAOYSA-N
Formula
C16H21NO3
SMILES
CN1C2CCC1CC(OC(=O)C(O)c1ccccc1)C2
Molecular Weight1
275.34
CAS
87-00-3
Other Names
  • Benzeneacetic acid, «alpha»-hydroxy-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, endo-(.+/-.)-
  • 1«alpha»H,5«alpha»H-Tropan-3-«alpha»-ol, mandelate
  • Homatropin
  • Homoatropine
  • Homotropine
  • Mandelic acid, 3d-tropanyl ester
  • Mandelyltropeine
  • Mandelytropeine
  • Tropine, mandelate
  • 3«alpha»-Hydroxy-1«alpha»H,5«alpha»H-tropanium mandelate (ester)
  • (.+/-.)-Homatropine
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Physical Properties

Property Value Unit Source
IE 8.03 eV Relay (1.0) Calculated Property
log10WS -0.83 Relay (1.0) Calculated Property
logPoct/wat 1.888 Crippen Calculated Property
McVol 214.110 ml/mol McGowan Calculated Property
Inp [2070.00; 2095.00]   Show Hide
Inp 2072.00 NIST
Inp 2070.00 NIST
Inp 2095.00 NIST
Inp 2072.00 NIST
Inp 2070.00 NIST
Inp 2095.00 NIST

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Similar Compounds

DL-Homatropine, methyl ether. EUCATROPINE. DL-Homatropine, trimethylsilyl ether. 3«alpha»-Phenylacetoxytropane. 3«beta»-Phenylacetoxytropane. Phenylacetylscopine. 3-Phenylacetoxy-6-hydroxytropane. Hyoscyamine. Atropine. Aposcopolamine. 3-(2'-Hydroxytropoyloxy)-tropane. Atropine acetate. Atropine formate. 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»)]-. Tropate, TMS.

Find more compounds similar to Homatropine.

Sources

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