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Substance Name: TD-139
RN: 1450824-22-2
UNII: 60Y0GUO72B
InChIKey: YGIDGBAHDZEYMT-MQFIMZJJSA-N

Molecular Formula

  • C28-H30-F2-N6-O8-S

Molecular Weight

  • 648.641
 
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Names and Synonyms

Name of Substance

  • TD-139

Synonyms

  • beta-D-Galactopyranoside, 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-
  • TD-139
  • TD139
  • UNII-60Y0GUO72B

Registry Numbers

CAS Registry Number

  • 1450824-22-2

FDA UNII

  • 60Y0GUO72B

System Generated Number

  • 1450824222

Structure Descriptors

InChI

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

InChIKey

YGIDGBAHDZEYMT-MQFIMZJJSA-N

Smiles

c1cc(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