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Substance Name: Benzenesulfonic acid, p-(4-(dimethylamino)-2-hydroxyphenylazo)-, sodium salt, dimethylcarbamate (ester)
RN: 72004-11-6
InChIKey: DDNZHGOCGOPDFJ-LTRPLHCISA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H19-N4-O5-S.Na

Molecular Weight

  • 414.4161
 
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Names and Synonyms

Synonym

  • Ro 2-1845

Systematic Name

  • Benzenesulfonic acid, p-(4-(dimethylamino)-2-hydroxyphenylazo)-, sodium salt, dimethylcarbamate (ester)

Registry Numbers

CAS Registry Number

  • 72004-11-6

System Generated Number

  • 0072004116

Molecular Formulas

Molecular Formula

  • C17-H19-N4-O5-S.Na

Molecular Formula Fragments

  • C17-H19-N4-O5-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C17H20N4O5S.Na/c1-20(2)13-7-10-15(16(11-13)26-17(22)21(3)4)19-18-12-5-8-14(9-6-12)27(23,24)25;/h5-11H,1-4H3,(H,23,24,25);/q;+1/p-1/b19-18+;

InChIKey

DDNZHGOCGOPDFJ-LTRPLHCISA-M

Smiles

CN(C)c1ccc(c(c1)OC(=O)N(C)C)/N=N/c2ccc(cc2)S(=O)(=O)[O-].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 450mg/kg (450mg/kg)   Medicinal Chemistry, A Series of Reviews. Vol. 3, Pg. 308, 1956.