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CHEBI:77455 - bupivacaine(1+)

ChEBI IDCHEBI:77455
ChEBI Namebupivacaine(1+)
Stars
DefinitionA racemate composed of equimolar amounts of dextrobupivacaine(1+) and levobupivacaine(1+).
Last Modified24 February 2014
SubmitterSteve
DownloadsMolfile
FormulaC18H29N2O
Net Charge+1
Average Mass289.443
Monoisotopic Mass289.22744
SMILESCCCC[NH+]1CCCCC1C(=O)Nc1c(C)cccc1C
InChIInChI=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)/p+1
InChIKeyLEBVLXFERQHONN-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
bupivacaine(1+) (CHEBI:77455) has part dextrobupivacaine(1+) (CHEBI:77459)
bupivacaine(1+) (CHEBI:77455) has part levobupivacaine(1+) (CHEBI:77458)
bupivacaine(1+) (CHEBI:77455) is a racemate (CHEBI:60911)
bupivacaine(1+) (CHEBI:77455) is conjugate acid of bupivacaine (CHEBI:3215)
Incoming Relation(s)
bupivacaine hydrochloride (anhydrous) (CHEBI:31322) has part bupivacaine(1+) (CHEBI:77455)
bupivacaine (CHEBI:3215) is conjugate base of bupivacaine(1+) (CHEBI:77455)
IUPAC Name 
rac-1-butyl-2-[(2,6-dimethylphenyl)carbamoyl]piperidinium
Synonym  Source
bupivacaine cationChEBI