Thiamylal sodiumProduct ingredient for Thiamylal

Name
Thiamylal sodium
Drug Entry
Thiamylal

A barbiturate that is administered intravenously for the production of complete anesthesia of short duration, for the induction of general anesthesia, or for inducing a hypnotic state. (From Martindale, The Extra Pharmacopoeia, 30th ed, p919)

Accession Number
DBSALT001404
Structure
Synonyms
Not Available
UNII
T4L2P3KH7K
CAS Number
337-47-3
Weight
Average: 276.33
Monoisotopic: 276.09084325
Chemical Formula
C12H17N2NaO2S
InChI Key
LYZGJWXNOGIVQA-UHFFFAOYSA-M
InChI
InChI=1S/C12H18N2O2S.Na/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16;/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17);/q;+1/p-1
IUPAC Name
sodium 6-hydroxy-5-(pentan-2-yl)-5-(prop-2-en-1-yl)-2-sulfanylidene-2,5-dihydropyrimidin-4-olate
SMILES
[Na+].CCCC(C)C1(CC=C)C(O)=NC(=S)N=C1[O-]
ChemSpider
2297314
BindingDB
50103607
ChEBI
9537
ChEMBL
CHEMBL1201065
Wikipedia
Thiamylal
Predicted Properties
PropertyValueSource
Water Solubility0.0202 mg/mLALOGPS
logP3.02ALOGPS
logP3.66Chemaxon
logS-4.1ALOGPS
pKa (Strongest Acidic)2.02Chemaxon
pKa (Strongest Basic)-6.2Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area68.01 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity81.83 m3·mol-1Chemaxon
Polarizability26.28 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon