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Substance Name: Trifluoroacetyldaunomycin
RN: 26388-52-3
InChIKey: VOASREXNXKOKBP-HWJSKKJZSA-N

Molecular Formula

  • C29-H28-F3-N-O11

Molecular Weight

  • 623.53
 
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Names and Synonyms

Name of Substance

  • Trifluoroacetyldaunomycin

Synonym

  • N-(Trifluoroacetyl)daunomycin

Systematic Name

  • 5,12-Naphthacenedione, 8-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

  • 26388-52-3

System Generated Number

  • 0026388523

Structure Descriptors

InChI

1S/C29H28F3NO11/c1-10-22(35)14(33-27(40)29(30,31)32)7-17(43-10)44-16-9-28(41,11(2)34)8-13-19(16)26(39)21-20(24(13)37)23(36)12-5-4-6-15(42-3)18(12)25(21)38/h4-6,10,14,16-17,22,35,37,39,41H,7-9H2,1-3H3,(H,33,40)/t10-,14-,16-,17-,22+,28-/m0/s1

InChIKey

VOASREXNXKOKBP-HWJSKKJZSA-N

Smiles

N([C@@H]1[C@@H]([C@@H](O[C@H](O[C@@H]2c3c(O)c4C(=O)c5c(C(=O)c4c(c3C[C@@](C2)(O)C(C)=O)O)cccc5OC)C1)C)O)C(C(F)(F)F)=O