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Substance Name: D-Glucitol, 1-deoxy-1-((dithiocarboxy)(phenylmethyl)amino)-, monosodium salt, hydrate
RN: 102996-80-5
InChIKey: BKOVQKBWCURYNR-VXERAZRLSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formulas

  • C14-H20-N-O5-S2.Na.H2-O
  • C14-H21-N-O5-S2.Na

Molecular Weight

  • 370.444
 
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Names and Synonyms

Synonyms

  • 1-Deoxy-1-((dithiocarboxy)(phenylmethyl)amino)-D-glucitol monosodium salt hydrate
  • 1-Deoxy-1-((dithiocarboxy)(phenylmethyl)amino)-D-glucitol monosodium salt monohydrate
  • N-Benzyl-N-dithiocarboxy-D-glucamine sodium salt hydrate
  • Nbg-dtc
  • Sodium N-benzyl-D-glucamine dithiocarbamate
  • Sodium N-benzyl-D-glucamine dithiocarbamate hydrate
  • Sodium N-benzyl-D-glucaminedithiocarbamate

Systematic Name

  • D-Glucitol, 1-deoxy-1-((dithiocarboxy)(phenylmethyl)amino)-, monosodium salt, hydrate

Registry Numbers

CAS Registry Number

  • 102996-80-5

Related Registry Number

  • 110771-92-1 (Parent)

System Generated Number

  • 0102996805

Molecular Formulas

Molecular Formulas

  • C14-H20-N-O5-S2.Na.H2-O
  • C14-H21-N-O5-S2.Na

Molecular Formula Fragments

  • C14-H20-N-O5-S2
  • C14-H21-N-O5-S2
  • COMPONENT
  • H2-O
  • Na

Structure Descriptors

InChI

1S/C14H21NO5S2.Na/c16-8-11(18)13(20)12(19)10(17)7-15(14(21)22)6-9-4-2-1-3-5-9;/h1-5,10-13,16-20H,6-8H2,(H,21,22);/q;+1/t10-,11+,12+,13+;/m0./s1

InChIKey

BKOVQKBWCURYNR-VXERAZRLSA-N

Smiles

[Na+].c1(ccccc1)CN(C(=S)S)C[C@@H]([C@H]([C@@H]([C@H](O)CO)O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported > 1gm/kg (1000mg/kg)   Drugs of the Future. Vol. 12, Pg. 749, 1987.
rat LD50 intraperitoneal 4307mg/kg (4307mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 108, Pg. 1209, 1988.