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

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ChEBI Name 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide hydrochloride hydrate
ChEBI ID CHEBI:77449
ChEBI ASCII Name 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide hydrochloride hydrate
Definition A hydrate that is the monohydrate form of 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide hydrochloride.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C18H31ClN2O2
Net Charge 0
Average Mass 342.90400
Monoisotopic Mass 342.20741
InChI InChI=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
InChIKey HUCIWBPMHXGLFM-UHFFFAOYSA-N
SMILES O.Cl.CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C
ChEBI Ontology
Outgoing 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 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)
Last Modified
24 February 2014