CHEBI:88314 - (S)-nefopam hydrochloride

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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 eMolecules:3714906
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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