TD2

3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranosyl 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-1-thio-beta-D-galactopyranoside


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Chemical Component Summary

Name3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranosyl 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-1-thio-beta-D-galactopyranoside
Identifiers(2S,3R,4S,5R,6R)-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2S,3R,4S,5R,6R)-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol
FormulaC28 H30 F2 N6 O8 S
Molecular Weight648.635
TypeNON-POLYMER
Isomeric SMILESc1cc(cc(c1)F)c2cn(nn2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)n5cc(nn5)c6cccc(c6)F)O)CO)O
InChIInChI=1S/C28H30F2N6O8S/c29-15-5-1-3-13(7-15)17-9-35(33-31-17)21-23(39)19(11-37)43-27(25(21)41)45-28-26(42)22(24(40)20(12-38)44-28)36-10-18(32-34-36)14-4-2-6-16(30)8-14/h1-10,19-28,37-42H,11-12H2/t19-,20-,21+,22+,23+,24+,25-,26-,27+,28+/m1/s1
InChIKeyYGIDGBAHDZEYMT-MQFIMZJJSA-N

Chemical Details

Formal Charge0
Atom Count75
Chiral Atom Count10
Bond Count80
Aromatic Bond Count22

Drug Info: DrugBank

DrugBank IDDB12895 
NameOlitigaltin
Groups investigational
DescriptionOlitigaltin has been investigated for the treatment of Idiopathic Pulmonary Fibrosis.
Synonyms
  • Olitigaltin
  • Bis-(3-deoxy-3-(4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl)-B-D-galactopyranosyl) sulfane
Categories
  • Carbohydrates
  • Galactosides
  • Glycosides
  • Sulfur Compounds
  • Thioglycosides
CAS number1450824-22-2

Related Resource References

Resource NameReference
PubChem 73774610
ChEMBL CHEMBL4297442