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Substance Name: Benzoic acid, p-(6-(4-(2-chloroethyl)piperazinyl)-2,4-diamino-5-pyrimidinyl)azo-, ethyl ester, hydrochloride, dihydrate
RN: 72017-55-1
InChIKey: JNVMWSXDXGEFJJ-BTKVJIOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H28-N8-O2.2Cl-H.2H2-O

Molecular Weight

  • 469.374
 
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Names and Synonyms

  • Benzoic acid, p-(6-(4-(2-chloroethyl)piperazinyl)-2,4-diamino-5-pyrimidinyl)azo-, ethyl ester, hydrochloride, dihydrate

Registry Numbers

CAS Registry Number

  • 72017-55-1

System Generated Number

  • 0072017551

Molecular Formulas

Molecular Formula

  • C19-H28-N8-O2.2Cl-H.2H2-O

Molecular Formula Fragments

  • C19-H28-N8-O2
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C19H25ClN8O2.ClH/c1-2-30-18(29)13-3-5-14(6-4-13)25-26-15-16(21)23-19(22)24-17(15)28-11-9-27(8-7-20)10-12-28;/h3-6H,2,7-12H2,1H3,(H4,21,22,23,24);1H/b26-25+;

InChIKey

JNVMWSXDXGEFJJ-BTKVJIOYSA-N

Smiles

c1(c(\N=N\c2ccc(C(OCC)=O)cc2)c(nc(n1)N)N)N1CC[NH+](CCCl)CC1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 180mg/kg (180mg/kg)   Journal of Medicinal Chemistry. Vol. 8, Pg. 745, 1965.