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Substance Name: Hexanoic acid, 3-hydroxy-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride
RN: 101779-22-0
InChIKey: CCRBWXOLUNYBOP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H29-N-O3.Cl-H

Molecular Weight

  • 343.892
 
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Names and Synonyms

Synonyms

  • 3-Hydroxy-2-phenylhexanoic acid 2-(diethylamino)ethyl ester hydrochloride
  • RTECS MR8484000

Systematic Name

  • Hexanoic acid, 3-hydroxy-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 101779-22-0

System Generated Number

  • 0101779220

Molecular Formulas

Molecular Formula

  • C18-H29-N-O3.Cl-H

Molecular Formula Fragments

  • C18-H29-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C18H29NO3.ClH/c1-4-10-16(20)17(15-11-8-7-9-12-15)18(21)22-14-13-19(5-2)6-3;/h7-9,11-12,16-17,20H,4-6,10,13-14H2,1-3H3;1H

InChIKey

CCRBWXOLUNYBOP-UHFFFAOYSA-N

Smiles

c1([C@@H](C(OCC[NH+](CC)CC)=O)[C@@H](CCC)O)ccccc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 60mg/kg (60mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 117, Pg. 331, 1956.