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Substance Name: 1',4'-Diepidaunorubicin
RN: 56390-13-7
InChIKey: STQGQHZAVUOBTE-MJBWQQDNSA-N

Molecular Formula

  • C27-H29-O10

Molecular Weight

  • 527.5231
 
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Names and Synonyms

Name of Substance

  • 1',4'-Diepidaunorubicin

Synonym

  • (8S-cis)-8-Acetyl-10-((3-amino-2,3,6-trideoxy-beta-L-arabino-hexapyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione

Systematic Name

  • 5,12-Naphthacenedione, 8-acetyl-10-((3-amino-2,3,6-trideoxy-beta-L-arabino-hexapyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S-cis)-

Registry Numbers

CAS Registry Number

  • 56390-13-7

System Generated Number

  • 0056390137

Structure Descriptors

InChI

1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/t10-,14-,16-,17+,22-,27-/m0/s1

InChIKey

STQGQHZAVUOBTE-MJBWQQDNSA-N

Smiles

C[C@H]1[C@@H]([C@H](C[C@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)C)O)N)O