Loading
PDBj
✖
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help

A1C7A

Summary
Name:Bupivacaine
Formula:C18 H28 N2 O
Formal charge:0
Formula weight:288.428 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(2R)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide
OpenEye OEToolkits3.1.0.0(2~{R})-1-butyl-~{N}-(2,6-dimethylphenyl)piperidine-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52Cc1cccc(C)c1NC(=O)C1CCCCN1CCCC
InChIInChI1.06InChI=1S/C18H28N2O/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)/t16-/m1/s1
InChIKeyInChI1.06LEBVLXFERQHONN-MRXNPFEDSA-N
SMILES_CANONICALCACTVS3.385CCCCN1CCCC[C@@H]1C(=O)Nc2c(C)cccc2C
SMILESCACTVS3.385CCCCN1CCCC[CH]1C(=O)Nc2c(C)cccc2C
SMILES_CANONICALOpenEye OEToolkits3.1.0.0CCCCN1CCCC[C@@H]1C(=O)Nc2c(cccc2C)C
SMILESOpenEye OEToolkits3.1.0.0CCCCN1CCCCC1C(=O)Nc2c(cccc2C)C

260896

PDB entries from 2026-10-14

PDB statisticsPDBj update infoContact PDBjnumon