Doxorubicinol

CAS Registry Number®

54193-28-1
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CAS Name

Doxorubicinol

Molecular Formula

C27H31NO11

Molecular Mass

545.54

Cite this Page

Doxorubicinol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=54193-28-1 (retrieved 2024-05-02) (CAS RN: 54193-28-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H31NO11/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-,16-,17-,22+,27-/m0/s1

InChIKey

InChIKey=NKZRZOVSJNSBFR-FEMMEMONSA-N

SMILES

OC=1C2=C([C@@H](O[C@H]3C[C@H](N)[C@H](O)[C@H](C)O3)C[C@@]([C@H](CO)O)(O)C2)C(O)=C4C1C(=O)C=5C(C4=O)=C(OC)C=CC5

Canonical SMILES

O=C1C=2C=CC=C(OC)C2C(=O)C=3C(O)=C4C(=C(O)C13)CC(O)(CC4OC5OC(C)C(O)C(N)C5)C(O)CO

Other Names for this Substance

  • 5,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy]-8-[(1S)-1,2-dihydroxyethyl]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S,10S)-
  • 5,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy]-8-(1,2-dihydroxyethyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, [8S-[8α,8(R*),10α]]-
  • (8S,10S)-10-[(3-Amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy]-8-[(1S)-1,2-dihydroxyethyl]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione
  • Adriamycinol
  • 13-Dihydrodoxorubicin

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Deleted or Replaced CAS Registry Numbers

111955-90-9, 39004-85-8, 276880-88-7

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