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CHEBI:77449 - 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide hydrochloride hydrate

ChEBI IDCHEBI:77449
ChEBI Name1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide hydrochloride hydrate
Stars
ASCII Name1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide hydrochloride hydrate
DefinitionA hydrate that is the monohydrate form of 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide hydrochloride.
Last Modified24 February 2014
SubmitterSteve
DownloadsMolfile
FormulaC18H28N2O.H2O.HCl
Net Charge0
Average Mass342.911
Monoisotopic Mass342.20741
SMILESCCCCN1CCCCC1C(=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
InChIKeyHUCIWBPMHXGLFM-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide hydrochloride hydrate (CHEBI:77449) has part 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide hydrochloride (CHEBI:77441)
1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide hydrochloride hydrate (CHEBI:77449) is a hydrate (CHEBI:35505)
Incoming Relation(s)
dextrobupivacaine hydrochloride hydrate (CHEBI:77454) is a 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide hydrochloride hydrate (CHEBI:77449)
levobupivacaine hydrochloride hydrate (CHEBI:77453) is a 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide hydrochloride hydrate (CHEBI:77449)
IUPAC Names 
1-butyl-2-[(2,6-dimethylphenyl)carbamoyl]piperidinium chloride—water (1/1)
1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide hydrochloride—water (1/1)