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
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
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