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Substance Name: Benzoic acid, p-((2,4-diamino-6-((3-((2-chloroethyl)ethylamino)propyl)amino)-5-pyrimidinyl)azo)-, ethyl ester, hydrochloride, hydrate (2:2:3)
RN: 19565-14-1
InChIKey: LZUHEJMLCZIJFA-RXQWRGDBSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H29-Cl-N8-O2.Cl-H.3/2H2-O

Molecular Weight

  • 485.417
 
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Names and Synonyms

  • Benzoic acid, p-((2,4-diamino-6-((3-((2-chloroethyl)ethylamino)propyl)amino)-5-pyrimidinyl)azo)-, ethyl ester, hydrochloride, hydrate (2:2:3)

Registry Numbers

CAS Registry Number

  • 19565-14-1

System Generated Number

  • 0019565141

Molecular Formulas

Molecular Formula

  • C20-H29-Cl-N8-O2.Cl-H.3/2H2-O

Molecular Formula Fragments

  • C20-H29-Cl-N8-O2
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C20H29ClN8O2.ClH/c1-3-29(13-10-21)12-5-11-24-18-16(17(22)25-20(23)26-18)28-27-15-8-6-14(7-9-15)19(30)31-4-2;/h6-9H,3-5,10-13H2,1-2H3,(H5,22,23,24,25,26);1H/b28-27+;

InChIKey

LZUHEJMLCZIJFA-RXQWRGDBSA-N

Smiles

c1(c(\N=N\c2ccc(C(OCC)=O)cc2)c(nc(n1)N)N)NCCC[N@@](CCCl)CC.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 70mg/kg (70mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 583, 1968.