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Substance Name: 3'-Desamino-3'-dimethylformamidinedoxorubicin
RN: 119864-31-2
InChIKey: ULJQQPCJMGOUAT-YVAUESMJSA-N

Molecular Formula

  • C30-H34-N2-O11

Molecular Weight

  • 598.6016
 
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Names and Synonyms

Name of Substance

  • 3'-Desamino-3'-dimethylformamidinedoxorubicin

Synonym

  • 3'-Dfd

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 119864-31-2

System Generated Number

  • 0119864312

Structure Descriptors

InChI

1S/C30H34N2O11/c1-13-25(35)16(31-12-32(2)3)8-20(42-13)43-18-10-30(40,19(34)11-33)9-15-22(18)29(39)24-23(27(15)37)26(36)14-6-5-7-17(41-4)21(14)28(24)38/h5-7,12-13,16,18,20,25,33,35,37,39-40H,8-11H2,1-4H3/b31-12-/t13-,16-,18-,20-,25+,30-/m0/s1

InChIKey

ULJQQPCJMGOUAT-YVAUESMJSA-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)CO)O)/N=C\N(C)C)O