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Substance Name: Acetic acid, 2-(1-hydroxycyclopentyl)-2-phenyl, 3-(dimethylamino)propyl ester, hydrochloride
RN: 102585-55-7
InChIKey: LYFLXLHVJQQGAD-UHFFFAOYSA-N

Molecular Formula

  • C18-H27-N-O3.Cl-H

Molecular Weight

  • 341.876
 
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Names and Synonyms

Synonym

  • 3-(Dimethylamino)propyl (1-hydroxycyclopentyl)phenylacetate hydrochloride

Systematic Name

  • Acetic acid, 2-(1-hydroxycyclopentyl)-2-phenyl, 3-(dimethylamino)propyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 102585-55-7

System Generated Number

  • 0102585557

Molecular Formulas

Molecular Formula

  • C18-H27-N-O3.Cl-H

Molecular Formula Fragments

  • C18-H27-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C18H27NO3.ClH/c1-19(2)13-8-14-22-17(20)16(15-9-4-3-5-10-15)18(21)11-6-7-12-18;/h3-5,9-10,16,21H,6-8,11-14H2,1-2H3;1H

InChIKey

LYFLXLHVJQQGAD-UHFFFAOYSA-N

Smiles

C1([C@@H](c2ccccc2)C(OCCC[NH+](C)C)=O)(CCCC1)O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11190,