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Substance Name: 4a,8a-(Methaniminomethano)naphthalen-2-ol, 1,2-beta,3,4,5,6,7,8-octahydro-10-methyl-, benzoate (ester), hydrochloride
RN: 17747-52-3
InChIKey: XWFDIFIQUJFYGV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H27-N-O2.Cl-H

Molecular Weight

  • 349.899
 
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Names and Synonyms

  • 4a,8a-(Methaniminomethano)naphthalen-2-ol, 1,2-beta,3,4,5,6,7,8-octahydro-10-methyl-, benzoate (ester), hydrochloride

Registry Numbers

CAS Registry Number

  • 17747-52-3

System Generated Number

  • 0017747523

Molecular Formulas

Molecular Formula

  • C20-H27-N-O2.Cl-H

Molecular Formula Fragments

  • C20-H27-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H27NO2.ClH/c1-21-14-19-10-5-6-11-20(19,15-21)13-17(9-12-19)23-18(22)16-7-3-2-4-8-16;/h2-4,7-8,17H,5-6,9-15H2,1H3;1H

InChIKey

XWFDIFIQUJFYGV-UHFFFAOYSA-N

Smiles

Cl.O([C@@H]1CC[C@@]23[C@@](C1)(CCCC2)C[N@@](C3)C)C(=O)c1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 68mg/kg (68mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: MUSCLE WEAKNESS
Journal of Medicinal Chemistry. Vol. 11, Pg. 805, 1968.