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Substance Name: Benzoic acid, o-ethoxy-, 2-diethylamino-1-phenylethyl ester, hydrochloride
RN: 73713-63-0
InChIKey: QSJMQOPHOXDMOZ-UHFFFAOYSA-N

Molecular Formula

  • C21-H27-N-O3.Cl-H

Molecular Weight

  • 377.909
 
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Names and Synonyms

Synonyms

  • 2-Diethylamino-1-phenylethanol, o-ethoxybenzoate ester, hydrochloride
  • Ethanol, 2-diethylamino-1-phenyl-, o-ethoxybenzoate, hydrochloride
  • NSC 231560

Systematic Names

  • Benzoic acid, 2-ethoxy-, 2-(diethylamino)-1-phenylethyl ester, hydrochloride (9CI)
  • Benzoic acid, o-ethoxy-, 2-diethylamino-1-phenylethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 73713-63-0

System Generated Number

  • 0073713630

Molecular Formulas

Molecular Formula

  • C21-H27-N-O3.Cl-H

Molecular Formula Fragments

  • C21-H27-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H27NO3.ClH/c1-4-22(5-2)16-20(17-12-8-7-9-13-17)25-21(23)18-14-10-11-15-19(18)24-6-3;/h7-15,20H,4-6,16H2,1-3H3;1H

InChIKey

QSJMQOPHOXDMOZ-UHFFFAOYSA-N

Smiles

c1([C@@H](OC(c2c(cccc2)OCC)=O)C[NH+](CC)CC)ccccc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 35500ug/kg (35.5mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00093,