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Substance Name: 2H-1-Benzopyran-2-one, 7-hydroxy-6-((4-(2-hydroxyethyl)-1-piperazinyl)methyl)-4-methyl-8-(2-propenyl)-, dihydrochloride
RN: 96567-85-0
InChIKey: NKQHYTXGUOEKKY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H26-N2-O4.2Cl-H

Molecular Weight

  • 431.3572
 
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Names and Synonyms

Synonym

  • 4-Methyl-6-((4-(2-hydroxyethyl)-1-piperazinyl)methyl)-7-hydroxy-8-allylcoumarin 2HCl

Systematic Name

  • 2H-1-Benzopyran-2-one, 7-hydroxy-6-((4-(2-hydroxyethyl)-1-piperazinyl)methyl)-4-methyl-8-(2-propenyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 96567-85-0

System Generated Number

  • 0096567850

Molecular Formulas

Molecular Formula

  • C20-H26-N2-O4.2Cl-H

Molecular Formula Fragments

  • C20-H26-N2-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H26N2O4.2ClH/c1-3-4-16-19(25)15(12-17-14(2)11-18(24)26-20(16)17)13-22-7-5-21(6-8-22)9-10-23;;/h3,11-12,23,25H,1,4-10,13H2,2H3;2*1H

InChIKey

NKQHYTXGUOEKKY-UHFFFAOYSA-N

Smiles

c12c(c(cc(=O)o2)C)cc(c(c1CC=C)O)CN1CCN(CC1)CCO.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1950mg/kg (1950mg/kg)   United States Patent Document. Vol. #4737517,
rat LD50 oral 3160mg/kg (3160mg/kg)   United States Patent Document. Vol. #4737517,