Molecule ID: 64737

IUPAC Name: 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;hydrochloride

Description: The molecule is a racemate composed of equimolar amounts of dextrobupivacaine hydrochloride and levobupivacaine hydrochloride. The monohydrate form is commonly used as a local anaesthetic. It has a role as an adrenergic antagonist, an amphiphile, an EC 3.1.1.8 (cholinesterase) inhibitor, an EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor and a local anaesthetic. It contains a levobupivacaine hydrochloride (anhydrous), a dextrobupivacaine hydrochloride (anhydrous) and a bupivacaine(1+).

SMILES: CCCCN1CCCCC1C(O)=Nc1c(C)cccc1C.Cl

SELFIES: [C][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][Branch1][C][O][=N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C].[Cl]

InChI: InChI=1S/C18H28N2O.ClH/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

Molecular Properties:
- Polar Surface Area: 32.299 Ų
- LogP: nan