Menadione sodium bisulfite anhydrousProduct ingredient for Menadione bisulfite
- Name
- Menadione sodium bisulfite anhydrous
- Drug Entry
- Menadione bisulfite
- Accession Number
- DBSALT003080
- Structure
Structure for Menadione sodium bisulfite anhydrous (DBSALT003080)
- Synonyms
- Bisulfite sodique de menadione / Bisulfito sodico de menadiona / Menadione sodium bisulfite / Menadioni natrii bisulfis / Vitamin K3 sodium bisulfite
- External IDs
- 204-987-0
- UNII
- 97K34V88SA
- CAS Number
- 130-37-0
- Weight
- Average: 276.24
Monoisotopic: 276.00683884 - Chemical Formula
- C11H9NaO5S
- InChI Key
- XDPFHGWVCTXHDX-UHFFFAOYSA-M
- InChI
- InChI=1S/C11H10O5S.Na/c1-11(17(14,15)16)6-9(12)7-4-2-3-5-8(7)10(11)13;/h2-5H,6H2,1H3,(H,14,15,16);/q;+1/p-1
- IUPAC Name
- sodium 2-methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonate
- SMILES
- [Na+].CC1(CC(=O)C2=C(C=CC=C2)C1=O)S([O-])(=O)=O
- External Links
- KEGG Compound
- C18378
- ChemSpider
- 8219
- ChEBI
- 63928
- ChEMBL
- CHEMBL2358118
- PharmGKB
- PA166123066
- Predicted Properties
Property Value Source Water Solubility 1.57 mg/mL ALOGPS logP 1.34 ALOGPS logP 0.87 Chemaxon logS -2.2 ALOGPS pKa (Strongest Acidic) -1.5 Chemaxon pKa (Strongest Basic) -7.4 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 91.34 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 58.68 m3·mol-1 Chemaxon Polarizability 22.98 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon