Amrubicin

CAS Registry Number®

110267-81-7
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CAS Name

Amrubicin

Molecular Formula

C25H25NO9

Molecular Mass

483.47

Cite this Page

Amrubicin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=110267-81-7 (retrieved 2024-07-21) (CAS RN: 110267-81-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H25NO9/c1-10(27)25(26)7-13-18(16(8-25)35-17-6-14(28)15(29)9-34-17)24(33)20-19(23(13)32)21(30)11-4-2-3-5-12(11)22(20)31/h2-5,14-17,28-29,32-33H,6-9,26H2,1H3/t14-,15+,16-,17-,25-/m0/s1

InChIKey

InChIKey=VJZITPJGSQKZMX-XDPRQOKASA-N

SMILES

O([C@@H]1C2=C(C(O)=C3C(=C2O)C(=O)C=4C(C3=O)=CC=CC4)C[C@](C(C)=O)(N)C1)[C@H]5C[C@H](O)[C@H](O)CO5

Canonical SMILES

O=C1C=2C=CC=CC2C(=O)C=3C(O)=C4C(=C(O)C13)CC(N)(C(=O)C)CC4OC5OCC(O)C(O)C5

Other Names for this Substance

  • 5,12-Naphthacenedione, 9-acetyl-9-amino-7-[(2-deoxy-β-D-erythro-pentopyranosyl)oxy]-7,8,9,10-tetrahydro-6,11-dihydroxy-, (7S,9S)-
  • 5,12-Naphthacenedione, 9-acetyl-9-amino-7-[(2-deoxy-β-D-erythro-pentopyranosyl)oxy]-7,8,9,10-tetrahydro-6,11-dihydroxy-, (7S-cis)-
  • (7S,9S)-9-Acetyl-9-amino-7-[(2-deoxy-β-D-erythro-pentopyranosyl)oxy]-7,8,9,10-tetrahydro-6,11-dihydroxy-5,12-naphthacenedione
  • Amrubicin

Deleted or Replaced CAS Registry Numbers

173949-64-9