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Substance Name: Thalifabine
RN: 88313-34-2
InChIKey: SMXTYFAIBBXFQO-KYJUHHDHSA-N

Molecular Formula

  • C40-H44-N2-O8

Molecular Weight

  • 680.7936
 
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Names and Synonyms

Results Name

  • Thalifabine

Synonyms

  • (+)-Thalifabine
  • Thalifabine

Systematic Names

  • 4H-Dibenzo(de,g)quinoline, 5,6,6a,7-tetrahydro-1,2,3,9,10-pentamethoxy-6-methyl-8-(4-(((5S)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)methyl)phenoxy)-, (6aS)-
  • 4H-Dibenzo(de,g)quinoline, 5,6,6a,7-tetrahydro-1,2,3,9,10-pentamethoxy-6-methyl-8-(4-((5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)methyl)phenoxy)-, (S-(R*,R*))-

Registry Numbers

CAS Registry Number

  • 88313-34-2

System Generated Number

  • 0088313342

Structure Descriptors

InChI

1S/C40H44N2O8/c1-41-14-12-23-17-31-32(49-21-48-31)19-26(23)29(41)16-22-8-10-24(11-9-22)50-37-28-18-30-34-25(13-15-42(30)2)36(44-4)40(47-7)39(46-6)35(34)27(28)20-33(43-3)38(37)45-5/h8-11,17,19-20,29-30H,12-16,18,21H2,1-7H3/t29-,30-/m0/s1

InChIKey

SMXTYFAIBBXFQO-KYJUHHDHSA-N

Smiles

CN1CCc2c3c(c(c(c2OC)OC)OC)-c4cc(c(c(c4C[C@@H]31)Oc5ccc(cc5)C[C@H]6c7cc8c(cc7CCN6C)OCO8)OC)OC