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Substance Name: 4-Demethoxy-10,10-dimethyldaunomycin
RN: 91003-74-6
InChIKey: OTPATBBARNDVSI-UHFFFAOYSA-N

Molecular Formula

  • C28-H31-N-O9

Molecular Weight

  • 525.5509
 
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Names and Synonyms

Name of Substance

  • 4-Demethoxy-10,10-dimethyldaunomycin

Synonym

  • 4-Demethoxy-10,10-dimethyldaunorubicin

Systematic Name

  • 5,12-Naphthacenedione, 8-acetyl-10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-7,7-dimethyl-, (8R-cis)-

Registry Numbers

CAS Registry Number

  • 91003-74-6

System Generated Number

  • 0091003746

Structure Descriptors

InChI

1S/C28H31NO9/c1-11-22(31)15(29)9-17(37-11)38-16-10-28(36,12(2)30)27(3,4)21-18(16)25(34)19-20(26(21)35)24(33)14-8-6-5-7-13(14)23(19)32/h5-8,11,15-17,22,31,34-36H,9-10,29H2,1-4H3

InChIKey

OTPATBBARNDVSI-UHFFFAOYSA-N

Smiles

CC1C(C(CC(O1)OC2CC(C(c3c2c(c4c(c3O)C(=O)c5ccccc5C4=O)O)(C)C)(C(=O)C)O)N)O