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Substance Name: 3-Fluoro-4-demethoxydaunomycin
RN: 118243-77-9
InChIKey: MMKVWGKEKQZJPZ-UHFFFAOYSA-N

Molecular Formula

  • C26-H26-F-N-O9

Molecular Weight

  • 515.4874
 
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Names and Synonyms

Name of Substance

  • 3-Fluoro-4-demethoxydaunomycin

Synonym

  • 3-FD-Daunomycin

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 118243-77-9

System Generated Number

  • 0118243779

Structure Descriptors

InChI

1S/C26H26FNO9/c1-9-21(30)15(28)6-17(36-9)37-16-8-26(35,10(2)29)7-14-18(16)25(34)20-19(24(14)33)22(31)12-4-3-11(27)5-13(12)23(20)32/h3-5,9,15-17,21,30,33-35H,6-8,28H2,1-2H3

InChIKey

MMKVWGKEKQZJPZ-UHFFFAOYSA-N

Smiles

CC1C(C(CC(O1)OC2CC(Cc3c2c(c4c(c3O)C(=O)c5ccc(cc5C4=O)F)O)(C(=O)C)O)N)O