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CHEBI:77454 - dextrobupivacaine hydrochloride hydrate

ChEBI IDCHEBI:77454
ChEBI Namedextrobupivacaine hydrochloride hydrate
Stars
DefinitionThe monohydrate form of dextrobupivacaine hydrochloride.
Last Modified24 February 2014
SubmitterSteve
DownloadsMolfile
FormulaC18H28N2O.H2O.HCl
Net Charge0
Average Mass342.911
Monoisotopic Mass342.20741
SMILESCCCCN1CCCC[C@@H]1C(=O)Nc1c(C)cccc1C.Cl.O
InChIInChI=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/t16-;;/m1../s1
InChIKeyHUCIWBPMHXGLFM-GGMCWBHBSA-N
ChEBI Ontology
Outgoing Relation(s)
dextrobupivacaine hydrochloride hydrate (CHEBI:77454) has part dextrobupivacaine hydrochloride (anhydrous) (CHEBI:77442)
dextrobupivacaine hydrochloride hydrate (CHEBI:77454) is a 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide hydrochloride hydrate (CHEBI:77449)
dextrobupivacaine hydrochloride hydrate (CHEBI:77454) is enantiomer of levobupivacaine hydrochloride hydrate (CHEBI:77453)
Incoming Relation(s)
bupivacaine hydrochloride hydrate (CHEBI:60789) has part dextrobupivacaine hydrochloride hydrate (CHEBI:77454)
levobupivacaine hydrochloride hydrate (CHEBI:77453) is enantiomer of dextrobupivacaine hydrochloride hydrate (CHEBI:77454)
IUPAC Names 
(2R)-1-butyl-2-[(2,6-dimethylphenyl)carbamoyl]piperidinium chloride—water (1/1)
(2R)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide hydrochloride—water (1/1)
Synonyms  Source
dextrobupivacaine hydrochloride monohydrateChEBI
dextrobupivacaine monohydrochloride monohydrateChEBI
dextrobupivacaine.HCl.H2OChEBI
(R)-1-butyl-2',6'-pipecoloxylidide hydrochloride hydrateChEBI