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Substance Name: Cyclopentaneacetic acid, 1-hydroxy-alpha-phenyl-, 3-alpha-tropanyl ester, hydrochloride
RN: 101931-99-1
InChIKey: IZXIGHYTVATJTL-UHFFFAOYSA-N

Molecular Formula

  • C20-H29-N-O3.Cl-H

Molecular Weight

  • 379.925
 
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Names and Synonyms

Synonym

  • 3-alpha-Tropanyl-(1-hydroxycyclopentyl)phenylacetate hydrochloride

Systematic Name

  • Cyclopentaneacetic acid, 1-hydroxy-alpha-phenyl-, 3-alpha-tropanyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 101931-99-1

System Generated Number

  • 0101931991

Molecular Formulas

Molecular Formula

  • C20-H29-N-O3.Cl-H

Molecular Formula Fragments

  • C20-H29-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H29NO3.ClH/c1-22-16-9-10-17(22)14-18(13-16)25-20(23)19(15-7-3-2-4-8-15)21(24)11-5-6-12-21;/h2-4,7-8,16-19,24H,5-6,9-14H2,1H3;1H

InChIKey

IZXIGHYTVATJTL-UHFFFAOYSA-N

Smiles

CN1C2CCC1CC(C2)OC(=O)C(c3ccccc3)C4(CCCC4)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 4417mg/kg (4417mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11438,