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Substance Name: N-(Trifloroacetyl)-14-phenyl-14-thiaadriamycin
RN: 77270-20-3
InChIKey: YUJYIUQYCLUSIO-UHFFFAOYSA-N

Molecular Formula

  • C35-H32-F3-N-O11-S

Molecular Weight

  • 731.694
 
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Names and Synonyms

Results Name

  • N-(Trifloroacetyl)-14-phenyl-14-thiaadriamycin

Synonyms

  • 7,8,9,10-Tetrahydro-6,8,11-trihydroxy-1-methoxy-8-((phenylthio)acetyl)-10-((2,3,6-trideoxy-3-((trifluoroacetyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-5,12-naphthacenedione (8S-cis)-
  • N-(Trifloroacetyl)-14-phenyl-14-thiaadriamycin

Systematic Name

  • 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-8-((phenylthio)acetyl)-10-((2,3,6-trideoxy-3-((trifluoroacetyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-, (8S-cis)-

Registry Numbers

CAS Registry Number

  • 77270-20-3

System Generated Number

  • 0077270203

Structure Descriptors

InChI

1S/C35H32F3NO11S/c1-15-28(41)19(39-33(46)35(36,37)38)11-23(49-15)50-21-13-34(47,22(40)14-51-16-7-4-3-5-8-16)12-18-25(21)32(45)27-26(30(18)43)29(42)17-9-6-10-20(48-2)24(17)31(27)44/h3-10,15,19,21,23,28,41,43,45,47H,11-14H2,1-2H3,(H,39,46)

InChIKey

YUJYIUQYCLUSIO-UHFFFAOYSA-N

Smiles

c1(ccccc1)SCC([C@@]1(Cc2c(c3C(c4cccc(c4C(c3c(c2[C@@H](C1)O[C@@H]1C[C@@H]([C@@H]([C@@H](O1)C)O)NC(C(F)(F)F)=O)O)=O)OC)=O)O)O)=O