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Substance Name: N-(Trifluoroacetyl)-14-dodecyl-14-thiaadriamycin
RN: 83291-70-7
InChIKey: IAJYOYSKGCFTOX-UHFFFAOYSA-N

Molecular Formula

  • C41-H52-F3-N-O11-S

Molecular Weight

  • 823.918
 
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Names and Synonyms

Results Name

  • N-(Trifluoroacetyl)-14-dodecyl-14-thiaadriamycin

Synonym

  • N-(Trifluoroacetyl)-14-dodecyl-14-thiaadriamycin

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 83291-70-7

System Generated Number

  • 0083291707

Structure Descriptors

InChI

1S/C41H52F3NO11S/c1-4-5-6-7-8-9-10-11-12-13-17-57-21-28(46)40(53)19-24-31(27(20-40)56-29-18-25(34(47)22(2)55-29)45-39(52)41(42,43)44)38(51)33-32(36(24)49)35(48)23-15-14-16-26(54-3)30(23)37(33)50/h14-16,22,25,27,29,34,47,49,51,53H,4-13,17-21H2,1-3H3,(H,45,52)

InChIKey

IAJYOYSKGCFTOX-UHFFFAOYSA-N

Smiles

C1[C@@H](O[C@@H](C)[C@@H](O)[C@@H]1NC(C(F)(F)F)=O)O[C@@H]1c2c(O)c3C(c4c(cccc4C(=O)c3c(O)c2C[C@@](O)(C(CSCCCCCCCCCCCC)=O)C1)OC)=O