Chemical Compound

IDARUBICIN

CAS Registry Number57852-57-0
IDARUBICIN chemical structure
Primary record

IDARUBICIN

CAS
57852-57-0
PubChem CID
3685
SMILES
CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=CC=CC=C5C4=O)O)(C(=O)C)O)N)O
Molecular Formula
C26H27NO9
Molecular Weight
497.5
Exact Mass
497.1686
InChI
InChI=1S/C26H27NO9/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/h3-6,10,15-17,21,29,32-34H,7-9,27H2,1-2H3
InChIKey
XDXDZDZNSLXDNA-UHFFFAOYSA-N
LogP
1.0203
TPSA
176.61

Names and synonyms

  • IDARUBICIN
  • Idarubicin Hcl
  • idarubicin hydrochloride
  • Daunomycin, hydrochloride
  • AC1L1GHH
  • 4-DMD HCl
  • Idamyin (TN) (Pharmacia)
  • Neuro_000120
  • CHEMBL1974170
  • SCHEMBL13488561
  • SCHEMBL31570023
  • 4-Demethoxydaunorubicin hydrochloride
  • CID3685
  • NSC256439
  • NSC-256439
  • VA11072
  • NCGC00015551-02
  • NCGC00181106-01
  • 4CA-0632
  • KB-333775
  • A2476
  • FT-0602269
  • FT-0621481
  • 57852-57-0
  • 58957-92-9
  • 9-acetyl-7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione
  • (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione
  • (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
  • (9S)-9-Acetyl-7-[(2R,4S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione
  • 5, 9-acetyl-7-[(3-amino-2,3,6-trideoxy- .alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro- 6,9,11-trihydroxy-, hydrochloride, (7S-cis)-