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Substance Name: N-Trifluoroacetyladriamycinol
RN: 66512-17-2
UNII: LJW91E124V
InChIKey: TWMWXCYMYAQOTO-ROPNTKIDSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C29-H30-F3-N-O12

Molecular Weight

  • 641.545
 
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Names and Synonyms

Name of Substance

  • N-Trifluoroacetyladriamycinol

Synonyms

  • N-Trifluoroacetyladriamycinol
  • UNII-LJW91E124V

Systematic Name

  • 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-(1,2-dihydroxyethyl)-1-methoxy-10-((2,3,6-trideoxy-2-(trifluoroacetamido)-alpha-L-lyxo-hexopyranosyl)oxy)-6,8,11-trihydroxy-

Registry Numbers

CAS Registry Number

  • 66512-17-2

FDA UNII

  • LJW91E124V

System Generated Number

  • 0066512172

Structure Descriptors

InChI

1S/C29H30F3NO12/c1-10-22(36)13(33-27(41)29(30,31)32)6-17(44-10)45-15-8-28(42,16(35)9-34)7-12-19(15)26(40)21-20(24(12)38)23(37)11-4-3-5-14(43-2)18(11)25(21)39/h3-5,10,13,15-17,22,34-36,38,40,42H,6-9H2,1-2H3,(H,33,41)/t10-,13-,15-,16-,17-,22+,28-/m0/s1

InChIKey

TWMWXCYMYAQOTO-ROPNTKIDSA-N

Smiles

COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](NC(=O)C(F)(F)F)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)[C@@H](O)CO