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Substance Name: 2-Propanol, 1-(3-((2-chloro-6,7-dimethoxy-4-quinazolinyl)amino)phenoxy)-3-((1-methylethyl)amino)-, dihydrochloride, hydrate
RN: 111218-79-2
InChIKey: DZVHJFOQQKVFCM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H27-Cl-N4-O4.2Cl-H.H2-O

Molecular Weight

  • 519.8541
 
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Names and Synonyms

Synonym

  • 2-Chloro-4-(3-(3'-isopropylamino-2'-oxopropoxy)phenylamino)-6,7-dimethoxyquinazoline 2HCl H2O

Systematic Name

  • 2-Propanol, 1-(3-((2-chloro-6,7-dimethoxy-4-quinazolinyl)amino)phenoxy)-3-((1-methylethyl)amino)-, dihydrochloride, hydrate

Registry Numbers

CAS Registry Number

  • 111218-79-2

System Generated Number

  • 0111218792

Molecular Formulas

Molecular Formula

  • C22-H27-Cl-N4-O4.2Cl-H.H2-O

Molecular Formula Fragments

  • C22-H27-Cl-N4-O4
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C22H27ClN4O4.2ClH/c1-13(2)24-11-15(28)12-31-16-7-5-6-14(8-16)25-21-17-9-19(29-3)20(30-4)10-18(17)26-22(23)27-21;;/h5-10,13,15,24,28H,11-12H2,1-4H3,(H,25,26,27);2*1H

InChIKey

DZVHJFOQQKVFCM-UHFFFAOYSA-N

Smiles

CC(C)NCC(COc1cccc(c1)Nc2c3cc(c(cc3nc(n2)Cl)OC)OC)O.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 64mg/kg (64mg/kg)   Pharmaceutical Chemistry Journal Vol. 21, Pg. 478, 1987.