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Substance Name: 4-Demethyl-6-deoxydoxorubicin
RN: 96597-11-4
InChIKey: CLPPFSCIEQCSCH-CRPGUXLUSA-N

Molecular Formula

  • C26-H27-N-O10

Molecular Weight

  • 513.4963
 
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Names and Synonyms

Name of Substance

  • 4-Demethyl-6-deoxydoxorubicin

Synonym

  • 4-Dmdd

Systematic Name

  • 5,12-Naphthacenedione, 10-((4-aminotetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)oxy)-7,8,9,10-tetrahydro-1,6,8-trihydroxy-8-(hydroxyacetyl)-, (2R-(2alpha(8S*,10S*),4beta,5beta,6beta))-

Registry Numbers

CAS Registry Number

  • 96597-11-4

System Generated Number

  • 0096597114

Structure Descriptors

InChI

1S/C26H27NO10/c1-10-22(31)15(27)6-19(36-10)37-17-8-26(35,18(30)9-28)7-14-12(17)5-13-21(25(14)34)23(32)11-3-2-4-16(29)20(11)24(13)33/h2-5,10,15,17,19,22,28-29,31,34-35H,6-9,27H2,1H3/t10-,15-,17-,19-,22+,26-/m0/s1

InChIKey

CLPPFSCIEQCSCH-CRPGUXLUSA-N

Smiles

C[C@@H]1O[C@H](C[C@H](N)[C@@H]1O)O[C@H]2C[C@@](O)(Cc3c(O)c4C(=O)c5cccc(O)c5C(=O)c4cc23)C(=O)CO