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CHEBI:88320 - (S)-nefopam

ChEBI IDCHEBI:88320
ChEBI Name(S)-nefopam
Stars
ASCII Name(S)-nefopam
DefinitionA 5-methyl-1-phenyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocine that has (S)-configuration (the racemate is a non-opioid analgesic drug).
Last Modified22 October 2015
SubmitterSteve
DownloadsMolfile
FormulaC17H19NO
Net Charge0
Average Mass253.345
Monoisotopic Mass253.14666
SMILESCN1CCO[C@@H](c2ccccc2)c2ccccc2C1
InChIInChI=1S/C17H19NO/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/t17-/m0/s1
InChIKeyRGPDEAGGEXEMMM-KRWDZBQOSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
(S)-nefopam (CHEBI:88320) is a 5-methyl-1-phenyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocine (CHEBI:88318)
(S)-nefopam (CHEBI:88320) is conjugate base of (S)-nefopam(1+) (CHEBI:88324)
(S)-nefopam (CHEBI:88320) is enantiomer of (R)-nefopam (CHEBI:88323)
Incoming Relation(s)
nefopam (CHEBI:88316) has part (S)-nefopam (CHEBI:88320)
(S)-nefopam(1+) (CHEBI:88324) is conjugate acid of (S)-nefopam (CHEBI:88320)
(R)-nefopam (CHEBI:88323) is enantiomer of (S)-nefopam (CHEBI:88320)
IUPAC Name 
(1S)-5-methyl-1-phenyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocine
Synonym  Source
(+)-NefopamChemIDplus
Registry NumbersSources
Reaxys:7112578Reaxys
CAS:110011-82-0ChemIDplus