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Substance Name: Daunorubicinol
RN: 28008-55-1
UNII: YDU8YIP30L
InChIKey: HJEZFVLKJYFNQW-PRFXOSGESA-N

Note

  • Main metabolite of daunomycin.

Classification Code

  • Mutation Data

Molecular Formula

  • C27-H31-N-O10

Molecular Weight

  • 529.5389
 
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Names and Synonyms

Name of Substance

  • Daunorubicinol

Synonyms

  • 1-Hydroxy-13-dihydrodaunomycin
  • 13-Dihydrodaunomycin
  • 13-Dihydrodaunorubicin
  • Antibiotic 20-798RP
  • BRN 3641654
  • Daunomycinol
  • Daunorubicinol
  • Dihydrodaunomycin
  • Duborimycin
  • Leukaemomycin D
  • UNII-YDU8YIP30L

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 28008-55-1

FDA UNII

  • YDU8YIP30L

Related Registry Number

  • 28008-53-9 (hydrochloride)

System Generated Number

  • 0028008551

Structure Descriptors

InChI

1S/C27H31NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10-11,14,16-17,22,29-30,32,34-35H,7-9,28H2,1-3H3/t10-,11-,14-,16-,17-,22+,27-/m0/s1

InChIKey

HJEZFVLKJYFNQW-PRFXOSGESA-N

Smiles

COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)[C@H](C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 6500ug/kg (6.5mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 3, Pg. 122, 1980.