Butacaine sulfateProduct ingredient for Butacaine
- Name
- Butacaine sulfate
- Drug Entry
- Butacaine
- Accession Number
- DBSALT001668
- Structure
Structure for Butacaine sulfate (DBSALT001668)
- Synonyms
- Butacaine sulfate
- UNII
- PAU39W3CVB
- CAS Number
- 149-15-5
- Weight
- Average: 710.97
Monoisotopic: 710.428836146 - Chemical Formula
- C36H62N4O8S
- InChI Key
- VWZAGCZUPZKTET-UHFFFAOYSA-N
- InChI
- InChI=1S/2C18H30N2O2.H2O4S/c2*1-3-5-12-20(13-6-4-2)14-7-15-22-18(21)16-8-10-17(19)11-9-16;1-5(2,3)4/h2*8-11H,3-7,12-15,19H2,1-2H3;(H2,1,2,3,4)
- IUPAC Name
- bis(3-(dibutylamino)propyl 4-aminobenzoate); sulfuric acid
- SMILES
- OS(O)(=O)=O.CCCCN(CCCC)CCCOC(=O)C1=CC=C(N)C=C1.CCCCN(CCCC)CCCOC(=O)C1=CC=C(N)C=C1
- External Links
- ChemSpider
- 107297
- ChEMBL
- CHEMBL3142544
- Predicted Properties
Property Value Source Water Solubility 0.0424 mg/mL ALOGPS logP 4.46 ALOGPS logP 3.87 Chemaxon logS -3.9 ALOGPS pKa (Strongest Basic) 10.55 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 55.56 Å2 Chemaxon Rotatable Bond Count 24 Chemaxon Refractivity 93.42 m3·mol-1 Chemaxon Polarizability 37.85 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon