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Substance Name: N-(Trifluoroacetyl)adriamycin 14-thiobenzoate
RN: 101980-70-5
InChIKey: NVULMDQUOVDNAC-UHFFFAOYSA-N

Molecular Formula

  • C32-H32-F3-N-O12-S

Molecular Weight

  • 711.66
 
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Names and Synonyms

Results Name

  • N-(Trifluoroacetyl)adriamycin 14-thiobenzoate

Synonym

  • N-(Trifluoroacetyl)adriamycin 14-thiobenzoate

Systematic Name

  • Propanethioic acid, S-(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

  • 101980-70-5

System Generated Number

  • 0101980705

Structure Descriptors

InChI

1S/C32H32F3NO12S/c1-4-19(38)49-11-18(37)31(45)9-14-22(17(10-31)48-20-8-15(25(39)12(2)47-20)36-30(44)32(33,34)35)29(43)24-23(27(14)41)26(40)13-6-5-7-16(46-3)21(13)28(24)42/h5-7,12,15,17,20,25,39,41,43,45H,4,8-11H2,1-3H3,(H,36,44)

InChIKey

NVULMDQUOVDNAC-UHFFFAOYSA-N

Smiles

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