Cyanomorpholino doxorubicin

CAS Registry Number®

88254-07-3
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CAS Name

Cyanomorpholino doxorubicin

Molecular Formula

C32H34N2O12

Molecular Mass

638.62

Cite this Page

Cyanomorpholino doxorubicin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=88254-07-3 (retrieved 2024-09-20) (CAS RN: 88254-07-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C32H34N2O12/c1-14-27(37)18(34-6-7-44-13-15(34)11-33)8-22(45-14)46-20-10-32(42,21(36)12-35)9-17-24(20)31(41)26-25(29(17)39)28(38)16-4-3-5-19(43-2)23(16)30(26)40/h3-5,14-15,18,20,22,27,35,37,39,41-42H,6-10,12-13H2,1-2H3/t14-,15?,18-,20-,22-,27+,32-/m0/s1

InChIKey

InChIKey=YIMDLWDNDGKDTJ-QLKYHASDSA-N

SMILES

O([C@@H]1C2=C(C(O)=C3C(=C2O)C(=O)C=4C(C3=O)=CC=CC4OC)C[C@](C(CO)=O)(O)C1)[C@H]5C[C@@H]([C@H](O)[C@H](C)O5)N6C(C#N)COCC6

Canonical SMILES

N#CC1N(CCOC1)C2CC(OC3C4=C(O)C=5C(=O)C=6C(OC)=CC=CC6C(=O)C5C(O)=C4CC(O)(C(=O)CO)C3)OC(C)C2O

Other Names for this Substance

  • 5,12-Naphthacenedione, 10-[[3-(3-cyano-4-morpholinyl)-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl]oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-, (8S,10S)-
  • 5,12-Naphthacenedione, 10-[[3-(3-cyano-4-morpholinyl)-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl]oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S,10S)-
  • (8S,10S)-10-[[3-(3-Cyano-4-morpholinyl)-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl]oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-5,12-naphthacenedione
  • MRA-CN
  • 3′-Deamino-3′-(3-cyano-4-morpholinyl)adriamycin

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Deleted or Replaced CAS Registry Numbers

94730-48-0, 114414-57-2, 142200-30-4, 160398-81-2