CHEBI:88314 - (S)-nefopam hydrochloride

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (S)-nefopam hydrochloride
ChEBI ID CHEBI:88314
ChEBI ASCII Name (S)-nefopam hydrochloride
Definition A hydrochloride obtained by reaction of (S)-nefopam with one equivalent of hydrochloric acid (the racemic salt is an analgesic drug).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information No supplier information found for this compound.
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Formula C17H20ClNO
Net Charge 0
Average Mass 289.800
Monoisotopic Mass 289.12334
InChI InChI=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
InChIKey CNNVSINJDJNHQK-LMOVPXPDSA-N
SMILES Cl.C1N(CCO[C@H](C=2C1=CC=CC2)C=3C=CC=CC3)C
ChEBI Ontology
Outgoing (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 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 hydrochloride ChemIDplus
Registry Numbers Types Sources
53648-31-0 CAS Registry Number ChemIDplus
7105184 Reaxys Registry Number Reaxys
Last Modified
22 October 2015