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CHEBI:4474 - dezocine

ChEBI IDCHEBI:4474
ChEBI Namedezocine
Stars
Definition(7S,8S)-7-Amino-8-methyl-5,6,7,8-tetrahydronaphthalen-2-ol in which the hydrogen at position 8 and one of the hydrogens at position 6 are substituted by each end of a tetramethylene bridge. A synthetic opioid analgesic, it has mixed opiod agonist and antagonist properties. Although it is used for pain management, it can produce opioid withdrawal syndrome in patients already dependent on other opioids, and its clinical application is limited by side effects such as dizziness.
Secondary ChEBI IDCHEBI:618361
Last Modified22 February 2017
DownloadsMolfile
FormulaC16H23NO
Net Charge0
Average Mass245.366
Monoisotopic Mass245.17796
SMILES[H][C@]12CCCCC[C@](C)(c3cc(O)ccc3C1)[C@H]2N
InChIInChI=1S/C16H23NO/c1-16-8-4-2-3-5-12(15(16)17)9-11-6-7-13(18)10-14(11)16/h6-7,10,12,15,18H,2-5,8-9,17H2,1H3/t12-,15-,16+/m0/s1
InChIKeyVTMVHDZWSFQSQP-VBNZEHGJSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
opioid analgesic  A narcotic or opioid substance, synthetic or semisynthetic agent producing profound analgesia, drowsiness, and changes in mood.
Application:
opioid analgesic  A narcotic or opioid substance, synthetic or semisynthetic agent producing profound analgesia, drowsiness, and changes in mood.
ChEBI Ontology
Outgoing Relation(s)
dezocine (CHEBI:4474) has role opioid analgesic (CHEBI:35482)
dezocine (CHEBI:4474) is a phenols (CHEBI:33853)
dezocine (CHEBI:4474) is a primary amino compound (CHEBI:50994)
IUPAC Name 
(5R,11S,13S)-13-amino-5-methyl-5,6,7,8,9,10,11,12-octahydro-5,11-methanobenzocyclodecen-3-ol
INNs  Source
dezocineChemIDplus
dezocinaChemIDplus
dezocinumChemIDplus
Synonyms  Source
DezocineKEGG COMPOUND
(−)-13β-amino-5,6,7,8,9,10,11α,12-octahydro-5α-methyl-5,11-methanobenzocyclodecen-3-olChemIDplus
Manual XrefsDatabases
C08010KEGG COMPOUND
DB01209DrugBank
D00838KEGG DRUG
DE2159324Patent
DezocineWikipedia
847DrugCentral
Registry NumbersSources
Beilstein:3033759Beilstein
CAS:53648-55-8KEGG COMPOUND
CAS:53648-55-8ChemIDplus