Epirubicin

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Properties Simple | Detailed

Formula C27H29NO11
IUPAC Name (7s,9s)-7-[(2r,4s,5r,6s)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
Molecular Mass 543.519 g·mol−1
Heat of Formation -1711.9 ± 16.7 kJ·mol−1
Dipole Moment 5.02 ± 1.08 D
Volume 586.23 Å 3
Surface Area 471.16 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -1.58 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,3s)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-(methyloxy)-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-l-arabino-hexopyranoside
  • (7s,9r)-7-[(2s,4s,5r,6s)-4-amino-5-hydroxy-6-methyl-oxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9s)-7-[(2r,4s,5r,6s)-4-amino-5-hydroxy-6-methyl-oxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyethanoyl)-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9s)-7-[(2r,4s,5r,6s)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9s)-7-[(2r,4s,5r,6s)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-9-glycoloyl-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7h-tetracene-5,12-quinone
  • (7s,9s)-7-[(2r,4s,5r,6s)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9s)-7-[[(2r,4s,5r,6s)-4-amino-5-hydroxy-6-methyl-2-tetrahydropyranyl]oxy]-6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
  • 10-((3-amino-2,3,6-trideoxy-beta-l-arabino-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-(8s-cis)-5,12-naphthacenedione
  • 4-epidoxorubicin
  • 5,12-naphthacenedione, 10-((3-amino-2,3,6-trideoxy-beta-l-arabino-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8s-cis)-
  • 56390-09-1 (hydrochloride salt)
  • 56420-45-2 (free base)
  • epiadriamycin
  • imi 28
  • wp 697
CAS Number(s)
  • 57918-25-9
  • 56420-45-2
InChIKey AOJJSUZBOXZQNB-VTZDEGQISA-N
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