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Substance Name: 1-alpha-H,5-alpha-H-Tropan-2-alpha-ol, (benzyloxy)diphenylacetate (ester), (+)-
RN: 87421-58-7
InChIKey: WTEIJWMNOBGPFJ-KULMRDAOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H31-N-O3.Cl-H

Molecular Weight

  • 478.0288
 
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Names and Synonyms

Synonym

  • Acetic acid, (benzyloxy)diphenyl-, 1-alpha-H,5-alpha-H-tropan-2-alpha-yl ester, (+)-

Systematic Name

  • 1-alpha-H,5-alpha-H-Tropan-2-alpha-ol, (benzyloxy)diphenylacetate (ester), (+)-

Registry Numbers

CAS Registry Number

  • 87421-58-7

System Generated Number

  • 0087421587

Molecular Formulas

Molecular Formula

  • C29-H31-N-O3.Cl-H

Molecular Formula Fragments

  • C29-H31-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C29H31NO3.ClH/c1-30-25-17-19-26(30)27(20-18-25)33-28(31)29(23-13-7-3-8-14-23,24-15-9-4-10-16-24)32-21-22-11-5-2-6-12-22;/h2-16,25-27H,17-21H2,1H3;1H/t25-,26+,27-;/m0./s1

InChIKey

WTEIJWMNOBGPFJ-KULMRDAOSA-N

Smiles

CN1[C@H]2CC[C@@H]1[C@H](CC2)OC(=O)C(c3ccccc3)(c4ccccc4)OCc5ccccc5.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 61mg/kg (61mg/kg)   Journal of Medicinal Chemistry. Vol. 26, Pg. 1772, 1983.