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Substance Name: NSC 400802
RN: 7477-25-0
InChIKey: MPCWUGXDLQYROO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H33-N-O3.Cl-H

Molecular Weight

  • 383.957
 
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Names and Synonyms

Results Name

  • NSC 400802

Synonyms

  • alpha-Phenylcyclohexanehydracrylic acid 2-(diethylamino)ethyl ester hydrochloride
  • NSC 400802

Systematic Name

  • Cyclohexanehydracrylic acid, alpha-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 7477-25-0

System Generated Number

  • 0007477250

Molecular Formulas

Molecular Formula

  • C21-H33-N-O3.Cl-H

Molecular Formula Fragments

  • C21-H33-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H33NO3.ClH/c1-3-22(4-2)15-16-25-21(24)19(17-11-7-5-8-12-17)20(23)18-13-9-6-10-14-18;/h5,7-8,11-12,18-20,23H,3-4,6,9-10,13-16H2,1-2H3;1H

InChIKey

MPCWUGXDLQYROO-UHFFFAOYSA-N

Smiles

C1(CCCCC1)[C@@H]([C@@H](C(=O)OCCN(CC)CC)c1ccccc1)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 28mg/kg (28mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 117, Pg. 331, 1956.