Nemorubicin

CAS Registry Number®

108852-90-0
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CAS Name

Nemorubicin

Molecular Formula

C32H37NO13

Molecular Mass

643.64

Cite this Page

Nemorubicin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=108852-90-0 (retrieved 2024-05-10) (CAS RN: 108852-90-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C32H37NO13/c1-14-27(36)17(33-7-8-44-22(12-33)43-3)9-21(45-14)46-19-11-32(41,20(35)13-34)10-16-24(19)31(40)26-25(29(16)38)28(37)15-5-4-6-18(42-2)23(15)30(26)39/h4-6,14,17,19,21-22,27,34,36,38,40-41H,7-13H2,1-3H3/t14-,17-,19-,21-,22-,27+,32-/m0/s1

InChIKey

InChIKey=CTMCWCONSULRHO-UHQPFXKFSA-N

SMILES

OC=1C2=C([C@@H](O[C@H]3C[C@@H]([C@H](O)[C@H](C)O3)N4C[C@@H](OC)OCC4)C[C@@](C(CO)=O)(O)C2)C(O)=C5C1C(=O)C=6C(C5=O)=C(OC)C=CC6

Canonical SMILES

O=C1C=2C=CC=C(OC)C2C(=O)C=3C(O)=C4C(=C(O)C13)CC(O)(C(=O)CO)CC4OC5OC(C)C(O)C(N6CCOC(OC)C6)C5

Other Names for this Substance

  • 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-10-[[2,3,6-trideoxy-3-[(2S)-2-methoxy-4-morpholinyl]-α-L-lyxo-hexopyranosyl]oxy]-, (8S,10S)-
  • 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-10-[[2,3,6-trideoxy-3-(2-methoxy-4-morpholinyl)-α-L-lyxo-hexopyranosyl]oxy]-, [8S-[8α,10α(R*)]]-
  • 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-10-[[2,3,6-trideoxy-3-[(2S)-2-methoxy-4-morpholinyl]-α-L-lyxo-hexopyranosyl]oxy]-, (8S,10S)-
  • (8S,10S)-7,8,9,10-Tetrahydro-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-10-[[2,3,6-trideoxy-3-[(2S)-2-methoxy-4-morpholinyl]-α-L-lyxo-hexopyranosyl]oxy]-5,12-naphthacenedione
  • FCE 23762

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Deleted or Replaced CAS Registry Numbers

136520-71-3, 160398-83-4

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