美索比妥sodiumProduct ingredient for美索比妥
- Name
- 美索比妥sodium
- Drug Entry
-
美索比妥
An intravenous anesthetic with a short duration of action that may be used for induction of anesthesia.
- Accession Number
- DBSALT000631
- Structure
-
Structure for Methohexital sodium (DBSALT000631)
- Synonyms
- Not Available
- UNII
- 60200PNZ7Q
- CAS Number
- 309-36-4
- Weight
-
Average: 284.2861
Monoisotopic: 284.113687095 - Chemical Formula
- C14H17N2NaO3
- InChI Key
- KDXZREBVGAGZHS-UHFFFAOYSA-M
- InChI
-
InChI=1S/C14H18N2O3.Na/c1-5-7-8-10(3)14(9-6-2)11(17)15-13(19)16(4)12(14)18;/h6,10H,2,5,9H2,1,3-4H3,(H,15,17,19);/q;+1/p-1
- IUPAC Name
-
sodium 5-(hex-3-yn-2-yl)-1-methyl-2,6-dioxo-5-(prop-2-en-1-yl)-1,2,5,6-tetrahydropyrimidin-4-olate
- SMILES
-
[Na+].CCC#CC(C)C1(CC=C)C([O-])=NC(=O)N(C)C1=O
- External Links
-
- PubChem Compound
- 23690443
- ChemSpider
- 9022
- ChEBI
- 6834
- ChEMBL
- CHEMBL30219
- Wikipedia
- 美索比妥
- Predicted Properties
-
Property Value Source Water Solubility 0.0353 mg/mL ALOGPS logP 2.52 ALOGPS logP 2.65 Chemaxon logS -3.9 ALOGPS pKa (Strongest Acidic) 2.7 Chemaxon pKa (Strongest Basic) -2.7 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 72.8 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 82.38 m3·mol-1 Chemaxon Polarizability 26.95 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
