Ladirubicin

CAS Registry Number®

171047-47-5
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CAS Name

Ladirubicin

Molecular Formula

C29H31NO11S

Molecular Mass

601.62

Cite this Page

Ladirubicin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=171047-47-5 (retrieved 2024-05-15) (CAS RN: 171047-47-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C29H31NO11S/c1-13-28(41-42(3,37)38)18(30-8-9-30)10-20(39-13)40-19-12-29(36,14(2)31)11-17-21(19)27(35)23-22(26(17)34)24(32)15-6-4-5-7-16(15)25(23)33/h4-7,13,18-20,28,34-36H,8-12H2,1-3H3/t13-,18-,19-,20-,28+,29-/m0/s1

InChIKey

InChIKey=VMDWTZZCNDEKIO-CBNJBKGYSA-N

SMILES

O([C@@H]1C2=C(C(O)=C3C(=C2O)C(=O)C=4C(C3=O)=CC=CC4)C[C@](C(C)=O)(O)C1)[C@H]5C[C@@H]([C@H](OS(C)(=O)=O)[C@H](C)O5)[N@]6CC6

Canonical SMILES

O=C1C=2C=CC=CC2C(=O)C=3C(O)=C4C(=C(O)C13)CC(O)(C(=O)C)CC4OC5OC(C)C(OS(=O)(=O)C)C(N6CC6)C5

Other Names for this Substance

  • 5,12-Naphthacenedione, 9-acetyl-7-[[3-(1-aziridinyl)-2,3,6-trideoxy-4-O-(methylsulfonyl)-α-L-lyxo-hexopyranosyl]oxy]-7,8,9,10-tetrahydro-6,9,11-trihydroxy-, (7S,9S)-
  • 5,12-Naphthacenedione, 9-acetyl-7-[[3-(1-aziridinyl)-2,3,6-trideoxy-4-O-(methylsulfonyl)-α-L-lyxo-hexopyranosyl]oxy]-7,8,9,10-tetrahydro-6,9,11-trihydroxy-, (7S-cis)-
  • (7S,9S)-9-Acetyl-7-[[3-(1-aziridinyl)-2,3,6-trideoxy-4-O-(methylsulfonyl)-α-L-lyxo-hexopyranosyl]oxy]-7,8,9,10-tetrahydro-6,9,11-trihydroxy-5,12-naphthacenedione
  • FCE 28729
  • PNU 159548

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