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Substance Name: Benzoic acid, 4-((2,4-diamino-6-(3-anilino-2-chloro)propylamino)pyrimidin-5-yl)azo-, ethyl ester, hydrochloride
RN: 10554-09-3
InChIKey: BOVPLQLCENVCBE-FJISBNMDSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H25-Cl-N8-O2.Cl-H

Molecular Weight

  • 505.407
 
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Names and Synonyms

  • Benzoic acid, 4-((2,4-diamino-6-(3-anilino-2-chloro)propylamino)pyrimidin-5-yl)azo-, ethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 10554-09-3

System Generated Number

  • 0010554093

Molecular Formulas

Molecular Formula

  • C22-H25-Cl-N8-O2.Cl-H

Molecular Formula Fragments

  • C22-H25-Cl-N8-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H25ClN8O2.ClH/c1-2-33-21(32)14-8-10-17(11-9-14)30-31-18-19(24)28-22(25)29-20(18)27-13-15(23)12-26-16-6-4-3-5-7-16;/h3-11,15,26H,2,12-13H2,1H3,(H5,24,25,27,28,29);1H/b31-30+;

InChIKey

BOVPLQLCENVCBE-FJISBNMDSA-N

Smiles

c1(c(nc(N)nc1N)NC[C@@H](CNc1ccccc1)Cl)\N=N\c1ccc(C(OCC)=O)cc1.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1100mg/kg (1100mg/kg)   Journal of Medicinal Chemistry. Vol. 9, Pg. 874, 1966.