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CHEBI:88318 - 5-methyl-1-phenyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocine

ChEBI IDCHEBI:88318
ChEBI Name5-methyl-1-phenyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocine
Stars
ASCII Name5-methyl-1-phenyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocine
DefinitionA member of the class of benzoxazocines that is 3,4,5,6-tetrahydro-1H-2,5-benzoxazocine substituted by phenyl and methyl groups at positions 1 and 5 respectively.
Last Modified14 July 2016
SubmitterSteve
DownloadsMolfile
FormulaC17H19NO
Net Charge0
Average Mass253.345
Monoisotopic Mass253.14666
SMILESCN1CCOC(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
InChIKeyRGPDEAGGEXEMMM-UHFFFAOYSA-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)
5-methyl-1-phenyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocine (CHEBI:88318) is a benzoxazocine (CHEBI:88319)
5-methyl-1-phenyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocine (CHEBI:88318) is a tertiary amino compound (CHEBI:50996)
Incoming Relation(s)
(R)-nefopam (CHEBI:88323) is a 5-methyl-1-phenyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocine (CHEBI:88318)
(S)-nefopam (CHEBI:88320) is a 5-methyl-1-phenyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocine (CHEBI:88318)
IUPAC Name 
5-methyl-1-phenyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocine
Manual XrefsDatabases
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