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Substance Name: Oxythiamine octyl disulfide
RN: 84714-60-3
InChIKey: IYMUXMQNHSEVET-MNDPQUGUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H33-N3-O3-S2

Molecular Weight

  • 427.6307
 
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Names and Synonyms

Results Name

  • Oxythiamine octyl disulfide

Synonyms

  • BRN 5140001
  • Oxythiamine octyl disulfide

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 84714-60-3

System Generated Number

  • 0084714603

Structure Descriptors

InChI

1S/C20H33N3O3S2/c1-4-5-6-7-8-9-12-27-28-19(10-11-24)16(2)23(15-25)14-18-13-21-17(3)22-20(18)26/h13,15,24H,4-12,14H2,1-3H3,(H,21,22,26)/b19-16-

InChIKey

IYMUXMQNHSEVET-MNDPQUGUSA-N

Smiles

CCCCCCCCSS/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 570mg/kg (570mg/kg)   Pharmaceutical Chemistry Journal Vol. 25, Pg. 813, 1991.