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Substance Name: 1,3-Hexanedione, 2-(1,3-dithiol-2-ylidene)-5-methyl-1-phenyl-
RN: 100673-12-9
InChIKey: JBIQLHINADMORY-UHFFFAOYSA-N
Classification Code
- Drug / Therapeutic Agent
Molecular Formula
- C16-H16-O2-S2
Molecular Weight
- 304.4324
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Names and Synonyms
Synonym
- 2-(1,3-Dithiol-2-ylidene)-5-methyl-1-phenyl-1,3-hexanedione
Systematic Name
- 1,3-Hexanedione, 2-(1,3-dithiol-2-ylidene)-5-methyl-1-phenyl-
Registry Numbers
CAS Registry Number
- 100673-12-9
System Generated Number
- 0100673129
Structure Descriptors
InChI
1S/C16H16O2S2/c1-11(2)10-13(17)14(16-19-8-9-20-16)15(18)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3InChIKey
JBIQLHINADMORY-UHFFFAOYSA-NSmiles
CC(C)Toxicity
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | oral | 2gm/kg (2000mg/kg) | United States Patent Document. Vol. #4668799, |