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Substance Name: 1,4-Pentanediamine, N(sup 4)-(7-chloro-2-(2-(3,4-dimethoxyphenyl)ethenyl)-4-quinazolinyl)-N(sup 1),N(sup 1)-diethyl-, dihydrochloride
RN: 96474-83-8
InChIKey: RGTWUPLWWWSVGH-BXGYHSFXSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H35-Cl-N4-O2.2Cl-H

Molecular Weight

  • 555.9743
 
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Names and Synonyms

  • 1,4-Pentanediamine, N(sup 4)-(7-chloro-2-(2-(3,4-dimethoxyphenyl)ethenyl)-4-quinazolinyl)-N(sup 1),N(sup 1)-diethyl-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 96474-83-8

System Generated Number

  • 0096474838

Molecular Formulas

Molecular Formula

  • C27-H35-Cl-N4-O2.2Cl-H

Molecular Formula Fragments

  • C27-H35-Cl-N4-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C27H35ClN4O2.2ClH/c1-6-32(7-2)16-8-9-19(3)29-27-22-13-12-21(28)18-23(22)30-26(31-27)15-11-20-10-14-24(33-4)25(17-20)34-5;;/h10-15,17-19H,6-9,16H2,1-5H3,(H,29,30,31);2*1H/b15-11+;;

InChIKey

RGTWUPLWWWSVGH-BXGYHSFXSA-N

Smiles

CCN(CC)CCCC(C)Nc1c2ccc(cc2nc(n1)/C=C/c3ccc(c(c3)OC)OC)Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1500mg/kg (1500mg/kg)   Pharmaceutical Chemistry Journal Vol. 18, Pg. 836, 1984.