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Substance Name: D-Glucitol, 1-deoxy-1-((dithiocarboxy)((4-methylphenyl)methyl)amino)-4-O-beta-D-galactopyranosyl-, monosodium salt
RN: 133562-61-5
InChIKey: XGMAVMGFXICSCU-UHFFFAOYSA-M

Molecular Formula

  • C21-H33-N-O10-S2.Na

Molecular Weight

  • 545.603
 
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Names and Synonyms

Synonym

  • N-(4-Methylbenzyl)-4-O-(beta-D-galactopyranosyl)-D-glucamine-N- dithiocarbamate monosodium salt

Systematic Name

  • D-Glucitol, 1-deoxy-1-((dithiocarboxy)((4-methylphenyl)methyl)amino)-4-O-beta-D-galactopyranosyl-, monosodium salt

Registry Numbers

CAS Registry Number

  • 133562-61-5

System Generated Number

  • 0133562615

Molecular Formulas

Molecular Formula

  • C21-H33-N-O10-S2.Na

Molecular Formula Fragments

  • C21-H33-N-O10-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C21H33NO10S2.Na/c1-10-2-4-11(5-3-10)6-22(21(33)34)7-12(25)15(27)19(13(26)8-23)32-20-18(30)17(29)16(28)14(9-24)31-20;/h2-5,12-20,23-30H,6-9H2,1H3,(H,33,34);/q;+1/p-1

InChIKey

XGMAVMGFXICSCU-UHFFFAOYSA-M

Smiles

O1[C@@H]([C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O[C@@H]([C@@H]([C@@H](CN(Cc1ccc(cc1)C)C(=S)[S-])O)O)[C@@H](CO)O)CO.[Na+]