EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:34954 - (S)-ropivacaine hydrochloride hydrate

ChEBI IDCHEBI:34954
ChEBI Name(S)-ropivacaine hydrochloride hydrate
Stars
ASCII Name(S)-ropivacaine hydrochloride hydrate
DefinitionThe monohydrate form of (S)-ropivacaine hydrochloride.
Last Modified25 July 2011
DownloadsMolfile
FormulaC17H27N2O.Cl.H2O
Net Charge0
Average Mass328.884
Monoisotopic Mass328.19176
SMILESCCC[NH+]1CCCC[C@H]1C(=O)Nc1c(C)cccc1C.O.[Cl-]
InChIInChI=1S/C17H26N2O.ClH.H2O/c1-4-11-19-12-6-5-10-15(19)17(20)18-16-13(2)8-7-9-14(16)3;;/h7-9,15H,4-6,10-12H2,1-3H3,(H,18,20);1H;1H2/t15-;;/m0../s1
InChIKeyVSHFRHVKMYGBJL-CKUXDGONSA-N
Roles Classification
Application:
local anaesthetic  Any member of a group of drugs that reversibly inhibit the propagation of signals along nerves. Wide variations in potency, stability, toxicity, water-solubility and duration of action determine the route used for administration, e.g. topical, intravenous, epidural or spinal block.
ChEBI Ontology
Outgoing Relation(s)
(S)-ropivacaine hydrochloride hydrate (CHEBI:34954) has part (S)-ropivacaine hydrochloride (anhydrous) (CHEBI:60803)
(S)-ropivacaine hydrochloride hydrate (CHEBI:34954) has role local anaesthetic (CHEBI:36333)
(S)-ropivacaine hydrochloride hydrate (CHEBI:34954) is a hydrate (CHEBI:35505)
IUPAC Names 
(2S)-2-[(2,6-dimethylphenyl)carbamoyl]-1-propylpiperidinium chloride—water(1/1)
(2S)-N-(2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide hydrochloride—water (1/1)
Synonyms  Source
ropivacaine hydrochlorideChemIDplus
(S)-(−)-1-propylpiperidine-2-carboxylic acid (2,6-dimethylphenyl)amide hydrochloride monohydrateChemIDplus
(S)-(−)-1-propyl-2',6'-pipecoloxylidine hydrochloride monohydrateChemIDplus
(S)-ropivacaine hydrochloride monohydrateChEBI
L-N-(2,6-dimethylphenyl)-1-propyl-2-piperidinocarboxamide hydrochloride monohydrateChEBI
L-ropivacaine hydrochloride monohydrateChEBI
Brand Name  Source
NaropinDrugBank
Manual XrefsDatabases
D04048KEGG DRUG
DB00296DrugBank
WO2009044404Patent
Registry NumbersSources
Reaxys:5421768Reaxys
CAS:132112-35-7KEGG DRUG
CAS:132112-35-7ChemIDplus
Citations