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CHEBI:88314 - (S)-nefopam hydrochloride

ChEBI IDCHEBI:88314
ChEBI Name(S)-nefopam hydrochloride
Stars
ASCII Name(S)-nefopam hydrochloride
DefinitionA hydrochloride obtained by reaction of (S)-nefopam with one equivalent of hydrochloric acid (the racemic salt is an analgesic drug).
Last Modified22 October 2015
SubmitterSteve
DownloadsMolfile
FormulaC17H19NO.HCl
Net Charge0
Average Mass289.806
Monoisotopic Mass289.12334
SMILESCN1CCO[C@@H](c2ccccc2)c2ccccc2C1.Cl
InChIInChI=1S/C17H19NO.ClH/c1-18-11-12-19-17(14-7-3-2-4-8-14)16-10-6-5-9-15(16)13-18;/h2-10,17H,11-13H2,1H3;1H/t17-;/m0./s1
InChIKeyCNNVSINJDJNHQK-LMOVPXPDSA-N
ChEBI Ontology
Outgoing Relation(s)
(S)-nefopam hydrochloride (CHEBI:88314) has part (S)-nefopam(1+) (CHEBI:88324)
(S)-nefopam hydrochloride (CHEBI:88314) is a hydrochloride (CHEBI:36807)
(S)-nefopam hydrochloride (CHEBI:88314) is enantiomer of (R)-nefopam hydrochloride (CHEBI:88315)
Incoming Relation(s)
nefopam hydrochloride (CHEBI:88312) has part (S)-nefopam hydrochloride (CHEBI:88314)
(R)-nefopam hydrochloride (CHEBI:88315) is enantiomer of (S)-nefopam hydrochloride (CHEBI:88314)
IUPAC Names 
(1S)-5-methyl-1-phenyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocin-5-ium chloride
(1S)-5-methyl-1-phenyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocine hydrochloride
Synonym  Source
(S)-3,4,5,6-Tetrahydro-5-methyl-1-phenyl-1H-2,5-benzoxazocine hydrochlorideChemIDplus
Registry NumbersSources
Reaxys:7105184Reaxys
CAS:53648-31-0ChemIDplus