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Substance Name: Idarubicinol
RN: 86189-66-4
InChIKey: KMIBSUUWQWSRQV-LIWFTHACSA-N

Classification Codes

  • Antineoplastic Agents
  • Cytostatic
  • Mutation Data

Molecular Formula

  • C26-H29-N-O9

Molecular Weight

  • 499.5131
 
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Names and Synonyms

Name of Substance

  • Idarubicinol

Synonyms

  • (1S,3S)-3-Acetyl-1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-6,11-dioxo-1-naphthacenyl-3-amino-2,3,6-tridesoxy-alpha-L-hexopyranosid
  • 4-Demethoxydaunorubicinol
  • Antibiotic FCE 22723
  • Idarubicinol
  • NSC 256439

Systematic Names

  • 5,12-Naphthacenedione, 7-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,9,11-trihydroxy-9-((1S)-1-hydroxyethyl)-, (7S,9S)-
  • 5,12-Naphthacenedione, 7-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,9,11-trihydroxy-9-(1-hydroxyethyl)-, (7S-(7-alpha,9-alpha,9(R*)))-

Registry Numbers

CAS Registry Number

  • 86189-66-4

System Generated Number

  • 0086189664

Structure Descriptors

InChI

1S/C26H29NO9/c1-10-21(29)15(27)7-17(35-10)36-16-9-26(34,11(2)28)8-14-18(16)25(33)20-19(24(14)32)22(30)12-5-3-4-6-13(12)23(20)31/h3-6,10-11,15-17,21,28-29,32-34H,7-9,27H2,1-2H3/t10-,11+,15-,16-,17-,21+,26-/m0/s1

InChIKey

KMIBSUUWQWSRQV-LIWFTHACSA-N

Smiles

C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5ccccc5C4=O)O)([C@@H](C)O)O)N)O