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Substance Name: beta-Dimethylaminoethyl-alpha,alpha-diphenyl-alpha-propargoxyacetate
RN: 2765-97-1
UNII: XT63P694CJ
InChIKey: RSBGQTFIHFGTSY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H23-N-O3.Cl-H

Molecular Weight

  • 373.878
 
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Names and Synonyms

Name of Substance

  • beta-Dimethylaminoethyl-alpha,alpha-diphenyl-alpha-propargoxyacetate

Synonyms

  • alpha,alpha-Diphenyl-alpha-propargoxyacetic acid (beta-dimethylaminoethyl)ester hydrochloride
  • EINECS 220-439-3
  • Sertal
  • UNII-XT63P694CJ

Systematic Names

  • 2-(Dimethylamino)ethyl diphenyl(prop-2-ynyloxy)acetate hydrochloride
  • Acetic acid, diphenyl(2-propynyloxy)-, 2-(dimethylamino)ethyl ester, hydrochloride
  • Benzeneacetic acid, alpha-phenyl-alpha-(2-propynyloxy)-, 2-(dimethylamino)ethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 2765-97-1

FDA UNII

  • XT63P694CJ

System Generated Number

  • 0002765971

Molecular Formulas

Molecular Formula

  • C21-H23-N-O3.Cl-H

Molecular Formula Fragments

  • C21-H23-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H23NO3.ClH/c1-4-16-25-21(18-11-7-5-8-12-18,19-13-9-6-10-14-19)20(23)24-17-15-22(2)3;/h1,5-14H,15-17H2,2-3H3;1H

InChIKey

RSBGQTFIHFGTSY-UHFFFAOYSA-N

Smiles

C(c1ccccc1)(c1ccccc1)(C(OCC[NH+](C)C)=O)OCC#C.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 140mg/kg (140mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Toho Igakkai Zasshi. Journal of Medical Society of Toho University. Vol. 16, Pg. 566, 1969.
mouse LD50 intravenous 29800ug/kg (29.8mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Toho Igakkai Zasshi. Journal of Medical Society of Toho University. Vol. 16, Pg. 566, 1969.
mouse LD50 oral 503mg/kg (503mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Toho Igakkai Zasshi. Journal of Medical Society of Toho University. Vol. 16, Pg. 566, 1969.
mouse LD50 subcutaneous 297mg/kg (297mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Toho Igakkai Zasshi. Journal of Medical Society of Toho University. Vol. 16, Pg. 566, 1969.