THIOPENTAL

Search structure
Synonyms:
Status: Approved (1982)
Entry Type: Small molecule
Molecule Category: Parent
ATC: N01AF03
UNII: JI8Z5M7NA3

Structure
InChI Key IUJDSEJGGMCXSG-UHFFFAOYSA-N
Smile CCCC(C)C1(CC)C(=O)NC(=S)NC1=O
InChI
InChI=1S/C11H18N2O2S/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H18N2O2S
Molecular Weight 242.34
AlogP 1.35
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 58.2
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 16.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Ligand-gated ion channel GABA-A receptor
- 29500 - - -
Ion channel Voltage-gated ion channel Voltage-gated calcium channel
- 280 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Shock, Septic 3 D012772 ClinicalTrials
Status Epilepticus 3 D013226 ClinicalTrials
Brain Injuries 3 D001930 ClinicalTrials
Strabismus 2 D013285 ClinicalTrials

Related Entries

Salt

Cross References

Resources Reference
CAS NUMBER 76-75-5
ChEBI 102166
ChEMBL CHEMBL441
DrugBank DB00599
DrugCentral 2633
EPA CompTox DTXSID1023653
FDA SRS JI8Z5M7NA3
Human Metabolome Database HMDB0014737
Guide to Pharmacology 2579
KEGG C07521
PharmGKB PA451664
PubChem 3000715
SureChEMBL SCHEMBL1611312
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