Thiopental sodiumProduct ingredient for Thiopental

Name
Thiopental sodium
Drug Entry
Thiopental

A barbiturate that is administered intravenously for the induction of general anesthesia or for the production of complete anesthesia of short duration. It is also used for hypnosis and for the control of convulsive states. It has been used in neurosurgical patients to reduce increased intracranial pressure. It does not produce any excitation but has poor analgesic and muscle relaxant properties. Small doses have been shown to be anti-analgesic and lower the pain threshold. (From Martindale, The Extra Pharmacopoeia, 30th ed, p920)

Accession Number
DBSALT001409
Structure
Synonyms
Not Available
UNII
49Y44QZL70
CAS Number
71-73-8
Weight
Average: 264.32
Monoisotopic: 264.09084325
Chemical Formula
C11H17N2NaO2S
InChI Key
AWLILQARPMWUHA-UHFFFAOYSA-M
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
IUPAC Name
sodium 5-ethyl-6-hydroxy-5-(pentan-2-yl)-2-sulfanylidene-2,5-dihydropyrimidin-4-olate
SMILES
[Na+].CCCC(C)C1(CC)C(O)=NC(=S)N=C1[O-]
ChemSpider
2272257
ChEBI
9561
ChEMBL
CHEMBL738
Wikipedia
Sodium_thiopental
Predicted Properties
PropertyValueSource
Water Solubility0.049 mg/mLALOGPS
logP2.95ALOGPS
logP3.52Chemaxon
logS-3.7ALOGPS
pKa (Strongest Acidic)2.08Chemaxon
pKa (Strongest Basic)-6.2Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area68.01 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity77.19 m3·mol-1Chemaxon
Polarizability25.23 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon