THIOPENTAL SODIUM

Search structure
Trade Names:
Synonyms:
Status: Approved (1982)
Entry Type: Small molecule
Molecule Category: Salt
UNII: 49Y44QZL70
Parent Compound: THIOPENTAL

Structure
InChI Key AWLILQARPMWUHA-UHFFFAOYSA-M
Smile CCCC(C)C1(CC)C(=O)N=C([S-])NC1=O.[Na+]
InChI
InChI=1S/C11H18N2O2S.Na/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);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H17N2NaO2S
Molecular Weight 264.33
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

Action Mechanism of Action Reference
POSITIVE ALLOSTERIC MODULATOR GABA-A receptor; anion channel positive allosteric modulator
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -19.9--5.33
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 73.02

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Amnesia 1 D000647 ClinicalTrials

Related Entries

Parent

Cross References

Resources Reference
ChEBI 9561
ChEMBL CHEMBL738
EPA CompTox DTXSID1021744
FDA SRS 49Y44QZL70
PubChem 23675349
SureChEMBL SCHEMBL34621
CONTENTS