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Substance Name: Ammonium, (3-hydroxy-4-(phenylazo)phenyl)trimethyl-, iodide, dimethylcarbamate (ester)
RN: 66967-86-0
InChIKey: JSSRQPSYZNFTTQ-RZLHGTIFSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H23-N4-O2.I

Molecular Weight

  • 454.306
 
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Names and Synonyms

Synonyms

  • (3-Hydroxy-4-(phenylazo)phenyl)trimethylammonium iodide dimethylcarbamate (ester)
  • Ro 2-1940

Systematic Name

  • Ammonium, (3-hydroxy-4-(phenylazo)phenyl)trimethyl-, iodide, dimethylcarbamate (ester)

Registry Numbers

CAS Registry Number

  • 66967-86-0

System Generated Number

  • 0066967860

Molecular Formulas

Molecular Formula

  • C18-H23-N4-O2.I

Molecular Formula Fragments

  • C18-H23-N4-O2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C18H23N4O2.HI/c1-21(2)18(23)24-17-13-15(22(3,4)5)11-12-16(17)20-19-14-9-7-6-8-10-14;/h6-13H,1-5H3;1H/q+1;/p-1/b20-19+;

InChIKey

JSSRQPSYZNFTTQ-RZLHGTIFSA-M

Smiles

c1(c(ccc(c1)[N+](C)(C)C)\N=N\c1ccccc1)OC(N(C)C)=O.[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 1600ug/kg (1.6mg/kg)   Medicinal Chemistry, A Series of Reviews. Vol. 3, Pg. 308, 1956.