THIOPENTAL SODIUM


Trade Names	PENTOTHAL
Synonyms	Farmotal Hypnostan Intraval Intraval sod Leopental NSC-759557 Nesdonal Penthiobarbital Penthiobarbital sodium Pentothal Ravonal Sodium pentothal Sodium thiopental Thiomebumal Thiomebumal sodium
Status
Molecule Category	Salt-form
UNII	49Y44QZL70
EPA CompTox	DTXSID1021744
Parent Compound:	THIOPENTAL

Structure


InChI Key	AWLILQARPMWUHA-UHFFFAOYSA-M
Smiles	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

Mechanism of Action	Action	Reference
GABA-A receptor; anion channel positive allosteric modulator	POSITIVE ALLOSTERIC MODULATOR	ISBN PubMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides	-	-	-	-	73.02-84.51

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Cricetulus griseus	-	-	-	-	73.02-84.51

Target Conservation


Protein: GABA-A receptor; anion channel Description: Gamma-aminobutyric acid receptor subunit pi Organism : Homo sapiens O00591 ENSG00000094755










Protein: GABA-A receptor; anion channel Description: Gamma-aminobutyric acid receptor subunit delta Organism : Homo sapiens O14764 ENSG00000187730











Protein: GABA-A receptor; anion channel Description: Gamma-aminobutyric acid receptor subunit alpha-1 Organism : Homo sapiens P14867 ENSG00000022355












Protein: GABA-A receptor; anion channel Description: Gamma-aminobutyric acid receptor subunit beta-1 Organism : Homo sapiens P18505 ENSG00000163288








Protein: GABA-A receptor; anion channel Description: Gamma-aminobutyric acid receptor subunit gamma-2 Organism : Homo sapiens P18507 ENSG00000113327












Protein: GABA-A receptor; anion channel Description: Gamma-aminobutyric acid receptor subunit beta-3 Organism : Homo sapiens P28472 ENSG00000166206












Protein: GABA-A receptor; anion channel Description: Gamma-aminobutyric acid receptor subunit alpha-5 Organism : Homo sapiens P31644 ENSG00000186297












Protein: GABA-A receptor; anion channel Description: Gamma-aminobutyric acid receptor subunit alpha-3 Organism : Homo sapiens P34903 ENSG00000011677











Protein: GABA-A receptor; anion channel Description: Gamma-aminobutyric acid receptor subunit alpha-2 Organism : Homo sapiens P47869 ENSG00000151834











Protein: GABA-A receptor; anion channel Description: Gamma-aminobutyric acid receptor subunit beta-2 Organism : Homo sapiens P47870 ENSG00000145864











Protein: GABA-A receptor; anion channel Description: Gamma-aminobutyric acid receptor subunit alpha-4 Organism : Homo sapiens P48169 ENSG00000109158










Protein: GABA-A receptor; anion channel Description: Gamma-aminobutyric acid receptor subunit epsilon Organism : Homo sapiens P78334 ENSG00000102287









Protein: GABA-A receptor; anion channel Description: Gamma-aminobutyric acid receptor subunit alpha-6 Organism : Homo sapiens Q16445 ENSG00000145863











Protein: GABA-A receptor; anion channel Description: Gamma-aminobutyric acid receptor subunit gamma-1 Organism : Homo sapiens Q8N1C3 ENSG00000163285










Protein: GABA-A receptor; anion channel Description: Gamma-aminobutyric acid receptor subunit gamma-3 Organism : Homo sapiens Q99928 ENSG00000182256











Protein: GABA-A receptor; anion channel Description: Gamma-aminobutyric acid receptor subunit theta Organism : Homo sapiens Q9UN88 ENSG00000268089

Cross References

Resources	Reference
ChEBI	9561
ChEMBL	CHEMBL738
FDA SRS	49Y44QZL70
PubChem	12832575
SureChEMBL	SCHEMBL34621

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