(8S,10S)-10-{[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione | CAS No. 56420-45-2

(8S,10S)-10-{[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione

Basic Information

CAS Number

56420-45-2

Molecular Formula

C27H29NO11

Molecular Weight

543.53 g/mol

AD

Basic Physical Properties

Boiling Point

617.77°C (rough estimate)

Density

1.3783 (rough estimate)

Refractive Index

1.6400 (estimate)

CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O

InChI

InChI=1S/C27H29NO11/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-,17-,22-,27-/m0/s1

InChIKey

AOJJSUZBOXZQNB-VTZDEGQISA-N

LogP

0.0012999999999999123

Topological Polar Surface Area

206.06999999999996 Ų

Hydrogen Bond Donor/Acceptor

7 / 12

Complexity

977

Synonyms & References

English

  • EPIRUBICIN [HSDB]
  • CCRIS 2261
  • 3-Glycoloyl-1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1-naphthacenyl-3-amino-2,3,6-trideoxy-alpha-L-arabino-hexopyranoside
  • Epirubicinum (INN-Latin)
  • 56420-45-2 (FREE BASE)
  • Farmorubicin
  • D07901
  • NSC 256942
  • Pidorubicine (INN-French)
  • Epirubicin free base
  • Pidorubicine
  • 4' Epi Adriamycin
  • Epirubicin
  • (1S,3S)-3-GLYCOLOYL-1,2,3,4,6,11-HEXAHYDRO-3,5,12-TRIHYDROXY-10-METHOXY-6,11-DIOXO-1-NAPHTHACENYL 3-AMINO-2,3,6-TRIDEOXY-alpha-L-ARABINO-HEXOPYRANOSIDE
  • Pidorubicinum (INN-Latin)
  • AB00698552-13
  • Epi-doxorubicin
  • 4'-Epiadriamycin
  • Epirubicine
  • Epi-DX
  • (1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-arabino-hexopyranoside
  • (8S-cis)-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-5,12-naphthacenedione
  • 4' Epiadriamycin
  • NS00069619
  • Farmorubicin (TN)
  • AB00698552-14
  • (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
  • DM6
  • CHEBI:47898
  • Epirubicinum (Latin)
  • Epirubicinum [Latin]

MDL Number

MFCD00274554

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