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Substance Name: NSC 400818
RN: 7477-35-2
InChIKey: ROARVUHUQSUFIJ-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H34-N-O3.Br

Molecular Weight

  • 440.419
 
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Names and Synonyms

Results Name

  • NSC 400818

Synonyms

  • Diethyl(2-hydroxyethyl)methylammonium bromide alpha-phenyl-3-cyclohexene-1-hydracrylate
  • NSC 400818

Systematic Name

  • Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, alpha-phenyl-3-cyclohexene-1-hydracrylate

Registry Numbers

CAS Registry Number

  • 7477-35-2

System Generated Number

  • 0007477352

Molecular Formulas

Molecular Formula

  • C22-H34-N-O3.Br

Molecular Formula Fragments

  • Br
  • C22-H34-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C22H34NO3.BrH/c1-4-23(3,5-2)16-17-26-22(25)20(18-12-8-6-9-13-18)21(24)19-14-10-7-11-15-19;/h6-10,12-13,19-21,24H,4-5,11,14-17H2,1-3H3;1H/q+1;/p-1

InChIKey

ROARVUHUQSUFIJ-UHFFFAOYSA-M

Smiles

[BrH-].[N+](C)(CC)(CC)CCOC([C@@H]([C@@H](O)[C@@H]1CCC=CC1)c1ccccc1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 9mg/kg (9mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 117, Pg. 331, 1956.