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Substance Name: Ledoxantrone trihydrochloride [USAN]
RN: 119221-49-7
UNII: X9GSL37ED0
InChIKey: RNZAEKUSZHXFMR-UHFFFAOYSA-N

Classification Codes

  • Antineoplastic
  • Antineoplastic (DNA Topoisomerase II Inhibitor)
  • DNA Topoisomerase II Inhibitor

Molecular Formula

  • C21-H27-N5-O-S.3Cl-H

Molecular Weight

  • 506.927
 
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Names and Synonyms

Name of Substance

  • Ledoxantrone trihydrochloride [USAN]
  • Sedoxantrone trihydrochloride [USAN]

Synonyms

  • 2H-(1)Benzothiopyrano(4,3,2-cd)indazol-8-ol, 5-((2-aminoethyl)amino)-2-(2-(diethylamino)ethyl)-, trihydrochloride
  • 5-((2-Aminoethyl)amino)-2-(2-(diethylamino)ethyl)-2H-(1)benzothiopyrano(4,3,2-cd)indazol-8-ol trihydrochloride
  • CI 958
  • CI-958
  • Ledoxantrone HCl
  • Ledoxantrone trihydrochloride
  • Sedoxantrone trihydrochloride
  • UNII-X9GSL37ED0

Systematic Name

  • 2H-(1)Benzothiopyrano(4,3,2-cd)indazol-8-ol, 5-((2-aminoethyl)amino)-2-(2-(diethylamino)ethyl)-, trihydrochloride

Registry Numbers

CAS Registry Number

  • 119221-49-7

FDA UNII

  • X9GSL37ED0

System Generated Number

  • 0119221497

Molecular Formulas

Molecular Formula

  • C21-H27-N5-O-S.3Cl-H

Molecular Formula Fragments

  • C21-H27-N5-O-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H27N5OS.3ClH/c1-3-25(4-2)11-12-26-17-8-7-16(23-10-9-22)21-19(17)20(24-26)15-6-5-14(27)13-18(15)28-21;;;/h5-8,13,23,27H,3-4,9-12,22H2,1-2H3;3*1H

InChIKey

RNZAEKUSZHXFMR-UHFFFAOYSA-N

Smiles

c1cc(cc2c1c1c3c(s2)c(ccc3n(n1)CCN(CC)CC)NCCN)O.Cl.Cl.Cl