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Substance Name: 7-O-(2,6-Dideoxy-2-fluro-alpha-talopyranosyl)adriamycinol
RN: 129051-72-5
InChIKey: ITUKHSMHHBXKJZ-NHZDLFQUSA-N

Molecular Formula

  • C27-H29-F-O12

Molecular Weight

  • 564.5121
 
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Names and Synonyms

Name of Substance

  • 7-O-(2,6-Dideoxy-2-fluro-alpha-talopyranosyl)adriamycinol

Synonyms

  • 10-((2,6-Dideoxy-2-fluoro-alpha-L-talopyranosyl)oxy)-8-(1,2-dihydroxyethyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione
  • FT-Adm-OH

Systematic Name

  • 5,12-Naphthacenedione, 10-((2,6-dideoxy-2-fluoro-alpha-L-talopyranosyl)oxy)-8-(1,2-dihydroxyethyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-

Registry Numbers

CAS Registry Number

  • 129051-72-5

System Generated Number

  • 0129051725

Structure Descriptors

InChI

1S/C27H29FO12/c1-9-20(31)25(36)19(28)26(39-9)40-13-7-27(37,14(30)8-29)6-11-16(13)24(35)18-17(22(11)33)21(32)10-4-3-5-12(38-2)15(10)23(18)34/h3-5,9,13-14,19-20,25-26,29-31,33,35-37H,6-8H2,1-2H3/t9-,13?,14?,19+,20+,25-,26-,27?/m0/s1

InChIKey

ITUKHSMHHBXKJZ-NHZDLFQUSA-N

Smiles

C[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)OC2CC(Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(CO)O)O)F)O)O