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Substance Name: Oxythiamine heptyl disulfide
RN: 84714-59-0
InChIKey: HRLNHUBMBYQYCC-SDXDJHTJSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H31-N3-O3-S2

Molecular Weight

  • 413.6039
 
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Names and Synonyms

Results Name

  • Oxythiamine heptyl disulfide

Synonyms

  • BRN 5135998
  • Oxythiamine heptyl disulfide

Systematic Name

  • Formamide, N-((1,4-dihydro-2-methyl-3-oxo-5-pyrimidinyl)methyl)-N-(2-(heptyldithio)-4-hydroxy-1-methyl-1-butenyl)-

Registry Numbers

CAS Registry Number

  • 84714-59-0

System Generated Number

  • 0084714590

Structure Descriptors

InChI

1S/C19H31N3O3S2/c1-4-5-6-7-8-11-26-27-18(9-10-23)15(2)22(14-24)13-17-12-20-16(3)21-19(17)25/h12,14,23H,4-11,13H2,1-3H3,(H,20,21,25)/b18-15-

InChIKey

HRLNHUBMBYQYCC-SDXDJHTJSA-N

Smiles

CCCCCCCSS/C(=C(/C)\N(Cc1c[nH]c(nc1=O)C)C=O)/CCO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 780mg/kg (780mg/kg)   Pharmaceutical Chemistry Journal Vol. 25, Pg. 813, 1991.