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Substance Name: Piperazine, 1-(2-furanylcarbonyl)-4-(4-((3-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)amino)-6,7-dimethoxy-2-quinazolinyl)-, trihydrochloride
RN: 111218-84-9
InChIKey: SKOHAWPPKSGIKE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C31-H38-N6-O6.3Cl-H

Molecular Weight

  • 700.0599
 
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Names and Synonyms

  • Piperazine, 1-(2-furanylcarbonyl)-4-(4-((3-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)amino)-6,7-dimethoxy-2-quinazolinyl)-, trihydrochloride

Registry Numbers

CAS Registry Number

  • 111218-84-9

System Generated Number

  • 0111218849

Molecular Formulas

Molecular Formula

  • C31-H38-N6-O6.3Cl-H

Molecular Formula Fragments

  • C31-H38-N6-O6
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C31H38N6O6.3ClH/c1-20(2)32-18-22(38)19-43-23-8-5-7-21(15-23)33-29-24-16-27(40-3)28(41-4)17-25(24)34-31(35-29)37-12-10-36(11-13-37)30(39)26-9-6-14-42-26;;;/h5-9,14-17,20,22,32,38H,10-13,18-19H2,1-4H3,(H,33,34,35);3*1H

InChIKey

SKOHAWPPKSGIKE-UHFFFAOYSA-N

Smiles

CC(C)NCC(COc1cccc(c1)Nc2c3cc(c(cc3nc(n2)N4CCN(CC4)C(=O)c5ccco5)OC)OC)O.Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 36mg/kg (36mg/kg)   Pharmaceutical Chemistry Journal Vol. 21, Pg. 478, 1987.