Bupivacaine hydrochlorideProduct ingredient for Bupivacaine
- Name
- Bupivacaine hydrochloride
- Drug Entry
- Bupivacaine
Bupivacaine is a widely used local anesthetic agent.
- Accession Number
- DBSALT001512
- Structure
Structure for Bupivacaine hydrochloride (DBSALT001512)
- Synonyms
- Bupivacaine HCl / Bupivacaine hydrochloride / Bupivacaine hydrochloride hydrate / Bupivacaine hydrochloride monohydrate
- External IDs
- WIN 11,318 / WIN-11318
- UNII
- 7TQO7W3VT8
- CAS Number
- 73360-54-0
- Weight
- Average: 342.91
Monoisotopic: 342.2074059 - Chemical Formula
- C18H31ClN2O2
- InChI Key
- HUCIWBPMHXGLFM-UHFFFAOYSA-N
- InChI
- InChI=1S/C18H28N2O.ClH.H2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3;;/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21);1H;1H2
- IUPAC Name
- 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide hydrate hydrochloride
- SMILES
- O.Cl.CCCCN1CCCCC1C(=O)NC1=C(C)C=CC=C1C
- External Links
- KEGG Drug
- D01450
- ChemSpider
- 4445574
- ChEBI
- 60789
- Wikipedia
- Bupivacaine
- Predicted Properties
Property Value Source Water Solubility 0.0977 mg/mL ALOGPS logP 3.31 ALOGPS logP 4.52 Chemaxon logS -3.5 ALOGPS pKa (Strongest Acidic) 13.62 Chemaxon pKa (Strongest Basic) 8 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 32.34 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 90.19 m3·mol-1 Chemaxon Polarizability 34.48 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon