CHEBI:6441 - levacetylmethadol

ChEBI IDCHEBI:6441
ChEBI Namelevacetylmethadol
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC23H31NO2
Net Charge0
Average Mass353.506
Monoisotopic Mass353.23548
SMILESCC[C@H](OC(C)=O)C(C[C@H](C)N(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H31NO2/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18,22H,6,17H2,1-5H3/t18-,22-/m0/s1
InChIKeyXBMIVRRWGCYBTQ-AVRDEDQJSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
opioid analgesic  A narcotic or opioid substance, synthetic or semisynthetic agent producing profound analgesia, drowsiness, and changes in mood.
mu-opioid receptor antagonist  Any compound that exhibits antagonist activity at the μ-opioid receptor
Applications:
opioid analgesic  A narcotic or opioid substance, synthetic or semisynthetic agent producing profound analgesia, drowsiness, and changes in mood.
mu-opioid receptor antagonist  Any compound that exhibits antagonist activity at the μ-opioid receptor
ChEBI Ontology
Outgoing Relation(s)
levacetylmethadol (CHEBI:6441) has role opioid analgesic (CHEBI:35482)
levacetylmethadol (CHEBI:6441) has role μ-opioid receptor antagonist (CHEBI:50137)
levacetylmethadol (CHEBI:6441) is a acetate ester (CHEBI:47622)
levacetylmethadol (CHEBI:6441) is a tertiary amino compound (CHEBI:50996)
IUPAC Name 
(3S,6S)-6-(dimethylamino)-4,4-diphenylheptan-2-yl acetate
INNs  Source
levacetilmetadolDrugBank
levacetylmethadolKEGG DRUG
levacetylmethadolumDrugBank
Synonyms  Source
1-alpha-AcetylmethadolChemIDplus
(1S,4S)-4-(dimethylamino)-1-ethyl-2,2-diphenylpentyl acetateIUPAC
(-)-alpha-AcetylmethadolChemIDplus
LAAMChemIDplus
LAAMKEGG COMPOUND
LevacetylmethadolChemIDplus
Brand Name  Source
OrlaamDrugBank
Manual XrefsDatabases
1571DrugCentral
C08012KEGG COMPOUND
D04716KEGG DRUG
DB01227DrugBank
Levomethadyl_AcetateWikipedia
Registry NumbersSources
CAS:1477-40-3ChemIDplus
CAS:1477-40-3KEGG COMPOUND