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CHEBI:8890 - (S)-ropivacaine

ChEBI IDCHEBI:8890
ChEBI Name(S)-ropivacaine
Stars
ASCII Name(S)-ropivacaine
DefinitionA piperidinecarboxamide-based amide-type local anaesthetic (amide caine) in which (S)-N-propylpipecolic acid and 2,6-dimethylaniline are combined to form the amide bond.
Secondary ChEBI IDCHEBI:718203
Last Modified22 February 2017
DownloadsMolfile
FormulaC17H26N2O
Net Charge0
Average Mass274.408
Monoisotopic Mass274.20451
SMILESCCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C
InChIInChI=1S/C17H26N2O/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)/t15-/m0/s1
InChIKeyZKMNUMMKYBVTFN-HNNXBMFYSA-N
Wikipedia
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 (CHEBI:8890) has role local anaesthetic (CHEBI:36333)
(S)-ropivacaine (CHEBI:8890) is a piperidinecarboxamide (CHEBI:48592)
(S)-ropivacaine (CHEBI:8890) is a ropivacaine (CHEBI:60802)
Incoming Relation(s)
(S)-ropivacaine hydrochloride (anhydrous) (CHEBI:60803) has part (S)-ropivacaine (CHEBI:8890)
IUPAC Name 
(2S)-N-(2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide
INNs  Source
ropivacainumChemIDplus
ropivacainaChemIDplus
ropivacaineChemIDplus
Synonyms  Source
RopivacaineKEGG COMPOUND
(−)-1-propyl-2',6'-dimethyl-2-piperidylcarboxyanilideChemIDplus
(−)-1-propyl-2',6'-pipecoloxylidideChemIDplus
L-N-n-propylpipecolic acid-2,6-xylidideChEBI
(S)-(−)-1-propyl-2',6'-pipecoloxylidideChEBI
Manual XrefsDatabases
C07532KEGG COMPOUND
D08490KEGG DRUG
DB00296DrugBank
WO8500599Patent
RopivacaineWikipedia
LSM-5619LINCS
2403DrugCentral
Registry NumbersSources
Reaxys:5421606Reaxys
CAS:84057-95-4KEGG COMPOUND
CAS:84057-95-4ChemIDplus
Citations