Drug Information

Drug General Information
Drug ID
D08QCQ
Former ID
DNC014744
Drug Name
4-(5-tert-Butyl-[1,3]dithian-2-yl)-benzonitrile
Drug Type
Small molecular drug
Indication Discovery agent Investigative [533668]
Structure
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2D MOL

3D MOL
Formula
C15H19NS2
Canonical SMILES
CC(C)(C)C1CSC(SC1)C2=CC=C(C=C2)C#N
InChI
1S/C15H19NS2/c1-15(2,3)13-9-17-14(18-10-13)12-6-4-11(8-16)5-7-12/h4-7,13-14H,9-10H2,1-3H3
InChIKey
JBVUMTNJGGTVQA-UHFFFAOYSA-N
PubChem Compound ID
10039485
Target and Pathway
Target(s) Gamma-aminobutyric acid receptor Target Info Inhibitor [533668]
References
Ref 533668J Med Chem. 1995 Jul 7;38(14):2663-71.Synthesis of carbon-11-, fluorine-18-, and iodine-125-labeled GABAA-gated chloride ion channel blockers: substituted 5-tert-butyl-2-phenyl-1,3-dithianes and -dithiane oxides.
Ref 533668J Med Chem. 1995 Jul 7;38(14):2663-71.Synthesis of carbon-11-, fluorine-18-, and iodine-125-labeled GABAA-gated chloride ion channel blockers: substituted 5-tert-butyl-2-phenyl-1,3-dithianes and -dithiane oxides.

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