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Substance Name: Doxorubicinol
RN: 54193-28-1
UNII: HUH05KI4CF
InChIKey: NKZRZOVSJNSBFR-FEMMEMONSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C27-H31-N-O11

Molecular Weight

  • 545.5379
 
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Names and Synonyms

Results Name

  • Doxorubicinol

Name of Substance

  • Doxorubicinol

Synonyms

  • 13-Dihydrodoxorubicin
  • Adriamycinol
  • Antibiotic 27706RP
  • Doxorubicinol
  • RP 27706
  • UNII-HUH05KI4CF

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 54193-28-1

FDA UNII

  • HUH05KI4CF

Other Registry Numbers

  • 111955-90-9
  • 276880-88-7
  • 39004-85-8

System Generated Number

  • 0054193281

Structure Descriptors

InChI

1S/C27H31NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15-17,22,29-31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,16-,17-,22+,27-/m0/s1

InChIKey

NKZRZOVSJNSBFR-FEMMEMONSA-N

Smiles

C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)([C@H](CO)O)O)N)O