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

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ChEBI Name 5-methyl-1-phenyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocine
ChEBI ID CHEBI:88318
ChEBI ASCII Name 5-methyl-1-phenyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocine
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C17H19NO
Net Charge 0
Average Mass 253.339
Monoisotopic Mass 253.147
InChI InChI=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
InChIKey RGPDEAGGEXEMMM-UHFFFAOYSA-N
SMILES C1N(CCOC(C=2C1=CC=CC2)C=3C=CC=CC3)C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 (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 Xref Database
LSM-1811 LINCS
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Last Modified
14 July 2016