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-]
- External Links
- ChemSpider
- 2297314
- BindingDB
- 50103607
- ChEBI
- 9537
- ChEMBL
- CHEMBL1201065
- Wikipedia
- Thiamylal
- Predicted Properties
Property Value Source Water Solubility 0.0202 mg/mL ALOGPS logP 3.02 ALOGPS logP 3.66 Chemaxon logS -4.1 ALOGPS pKa (Strongest Acidic) 2.02 Chemaxon pKa (Strongest Basic) -6.2 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 68.01 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 81.83 m3·mol-1 Chemaxon Polarizability 26.28 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon