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Substance Name: Bicyclo(3.1.1)heptan-3-one, 2-(1,3-dithiolan-2-yl)-4,6,6-trimethyl-
RN: 60771-15-5
InChIKey: HMBSIVDUNBKZJS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H20-O-S2

Molecular Weight

  • 256.432
 
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Names and Synonyms

Synonym

  • 2-(1,3-Dithiolan-2-yl)-4,6,6-trimethylbicyclo(3.1.1)heptan-3-one

Systematic Name

  • Bicyclo(3.1.1)heptan-3-one, 2-(1,3-dithiolan-2-yl)-4,6,6-trimethyl-

Registry Numbers

CAS Registry Number

  • 60771-15-5

System Generated Number

  • 0060771155

Structure Descriptors

InChI

1S/C13H20OS2/c1-7-8-6-9(13(8,2)3)10(11(7)14)12-15-4-5-16-12/h7-10,12H,4-6H2,1-3H3

InChIKey

HMBSIVDUNBKZJS-UHFFFAOYSA-N

Smiles

C1([C@@H]2[C@@H](C3SCCS3)C([C@@H](C)[C@@H]1C2)=O)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 480mg/kg (480mg/kg)   Pharmacological Research Communications. Vol. 8, Pg. 435, 1976.