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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
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-NSmiles
CCCCCCCSS/C(=C(/C)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. |