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Substance Name: Trifluoroacetyladriamycin-14-octanoate
RN: 64376-45-0
InChIKey: GBATUGVYYXYNAD-UHFFFAOYSA-N

Molecular Formula

  • C37-H42-F3-N-O13

Molecular Weight

  • 765.727
 
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Names and Synonyms

Name of Substance

  • Trifluoroacetyladriamycin-14-octanoate

Synonym

  • TFAAO

Systematic Name

  • Octanoic acid, 2-(1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-((2,3,6-trideoxy-3-((trifluoroacetyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-2-naphthacenyl)-2-oxoethyl ester, (2S-cis)-

Registry Numbers

CAS Registry Number

  • 64376-45-0

System Generated Number

  • 0064376450

Structure Descriptors

InChI

1S/C37H42F3NO13/c1-4-5-6-7-8-12-24(43)52-16-23(42)36(50)14-19-27(22(15-36)54-25-13-20(30(44)17(2)53-25)41-35(49)37(38,39)40)34(48)29-28(32(19)46)31(45)18-10-9-11-21(51-3)26(18)33(29)47/h9-11,17,20,22,25,30,44,46,48,50H,4-8,12-16H2,1-3H3,(H,41,49)

InChIKey

GBATUGVYYXYNAD-UHFFFAOYSA-N

Smiles

N([C@@H]1C[C@@H](O[C@@H]2c3c(O)c4C(=O)c5c(OC)cccc5C(=O)c4c(O)c3C[C@@](O)(C(COC(=O)CCCCCCC)=O)C2)O[C@@H](C)[C@@H]1O)C(C(F)(F)F)=O