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Substance Name: N-Isonicotinyl daunorubicin
RN: 70609-59-5
InChIKey: SBAWLNDHOOGGLT-UHFFFAOYSA-N

Molecular Formula

  • C33-H32-N2-O11

Molecular Weight

  • 632.619
 
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Names and Synonyms

Results Name

  • N-Isonicotinyl daunorubicin

Synonym

  • N-Isonicotinyl daunorubicin

Systematic Name

  • 5,12-Naphthacenedione, 8-acetyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-((2,3,6-trideoxy-3-((4-pyridinylcarbonyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-, (8S-cis)-

Registry Numbers

CAS Registry Number

  • 70609-59-5

System Generated Number

  • 0070609595

Structure Descriptors

InChI

1S/C33H32N2O11/c1-14-27(37)19(35-32(42)16-7-9-34-10-8-16)11-22(45-14)46-21-13-33(43,15(2)36)12-18-24(21)31(41)26-25(29(18)39)28(38)17-5-4-6-20(44-3)23(17)30(26)40/h4-10,14,19,21-22,27,37,39,41,43H,11-13H2,1-3H3,(H,35,42)

InChIKey

SBAWLNDHOOGGLT-UHFFFAOYSA-N

Smiles

c12c(C(=O)c3c(C1=O)cccc3OC)c(c1[C@@H](C[C@@](Cc1c2O)(C(=O)C)O)O[C@@H]1C[C@@H](NC(=O)c2ccncc2)[C@@H]([C@@H](O1)C)O)O