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Substance Name: Piperazine, 1-(2-furanylcarbonyl)-4-(4-((4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)amino)-6,7-dimethoxy-2-quinazolinyl)-, trihydrochloride, dihydrate
RN: 111218-85-0
InChIKey: YOYZBYZXQKKKGO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C31-H38-N6-O6.3Cl-H.2H2-O

Molecular Weight

  • 700.0599
 
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Names and Synonyms

Synonym

  • RTECS TK3612000

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 111218-85-0

System Generated Number

  • 0111218850

Molecular Formulas

Molecular Formula

  • C31-H38-N6-O6.3Cl-H.2H2-O

Molecular Formula Fragments

  • C31-H38-N6-O6
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

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

InChIKey

YOYZBYZXQKKKGO-UHFFFAOYSA-N

Smiles

CC(C)NCC(COc1ccc(cc1)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 38mg/kg (38mg/kg)   Pharmaceutical Chemistry Journal Vol. 21, Pg. 478, 1987.