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Substance Name: Medorubicin [INN]
RN: 64314-52-9
UNII: NU158DGH9E
InChIKey: XVXGYZFARCOVHS-BINOZUKVSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C26-H27-N-O10

Molecular Weight

  • 513.4963
 
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Names and Synonyms

Name of Substance

  • 4-Demethoxydoxorubicin
  • Medorubicin [INN]

Synonyms

  • 4-Demethoxyadriamycin
  • 4-Demethoxydoxorubicin
  • BRN 6081215
  • CCRIS 1431
  • Medorubicin
  • Medorubicina
  • Medorubicina [INN-Spanish]
  • Medorubicine
  • Medorubicine [INN-French]
  • Medorubicinum
  • Medorubicinum [INN-Latin]
  • NSC 256438
  • UNII-NU158DGH9E

Systematic Names

  • (1S,3S)-3-Glycoloyl-1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-6,11-dioxo-1-naphthacenyl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside
  • 4-Demethoxydoxorubicin
  • 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-7-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-9-(hydroxyacetyl)-6,9,11-trihydroxy-, (7S-cis)-

Registry Numbers

CAS Registry Number

  • 64314-52-9

FDA UNII

  • NU158DGH9E

Related Registry Number

  • 64363-63-9 (mono-hydrochloride)

System Generated Number

  • 0064314529

Structure Descriptors

InChI

1S/C26H27NO10/c1-10-21(30)14(27)6-17(36-10)37-15-8-26(35,16(29)9-28)7-13-18(15)25(34)20-19(24(13)33)22(31)11-4-2-3-5-12(11)23(20)32/h2-5,10,14-15,17,21,28,30,33-35H,6-9,27H2,1H3/t10-,14-,15-,17-,21+,26-/m0/s1

InChIKey

XVXGYZFARCOVHS-BINOZUKVSA-N

Smiles

C[C@@H]1O[C@H](C[C@H](N)[C@@H]1O)O[C@H]2C[C@@](O)(Cc3c(O)c4C(=O)c5ccccc5C(=O)c4c(O)c23)C(=O)CO