Idarubicinol

CAS Registry Number®

86189-66-4
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CAS Name

Idarubicinol

Molecular Formula

C26H29NO9

Molecular Mass

499.51

Cite this Page

Idarubicinol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=86189-66-4 (retrieved 2024-05-18) (CAS RN: 86189-66-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C26H29NO9/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/h3-6,10-11,15-17,21,28-29,32-34H,7-9,27H2,1-2H3/t10-,11-,15-,16-,17-,21+,26-/m0/s1

InChIKey

InChIKey=KMIBSUUWQWSRQV-BAYOIBAISA-N

SMILES

O([C@@H]1C2=C(C(O)=C3C(=C2O)C(=O)C=4C(C3=O)=CC=CC4)C[C@]([C@H](C)O)(O)C1)[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5

Canonical SMILES

O=C1C=2C=CC=CC2C(=O)C=3C(O)=C4C(=C(O)C13)CC(O)(CC4OC5OC(C)C(O)C(N)C5)C(O)C

Other Names for this Substance

  • 5,12-Naphthacenedione, 7-[(3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,9,11-trihydroxy-9-[(1S)-1-hydroxyethyl]-, (7S,9S)-
  • 5,12-Naphthacenedione, 7-[(3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,9,11-trihydroxy-9-(1-hydroxyethyl)-, [7S-[7α,9α,9(R*)]]-
  • (7S,9S)-7-[(3-Amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,9,11-trihydroxy-9-[(1S)-1-hydroxyethyl]-5,12-naphthacenedione
  • Antibiotic FCE 22723
  • 4-Demethoxydaunorubicinol

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