CHEBI:4474 - dezocine

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ChEBI Name dezocine
ChEBI ID CHEBI:4474
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.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:618361
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Formula C16H23NO
Net Charge 0
Average Mass 245.35990
Monoisotopic Mass 245.178
InChI InChI=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
InChIKey VTMVHDZWSFQSQP-VBNZEHGJSA-N
SMILES [H][C@@]12CCCCC[C@@](C)([C@H]1N)c1cc(O)ccc1C2
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): opioid analgesic
A narcotic or opioid substance, synthetic or semisynthetic agent producing profound analgesia, drowsiness, and changes in mood.
Application(s): opioid analgesic
A narcotic or opioid substance, synthetic or semisynthetic agent producing profound analgesia, drowsiness, and changes in mood.
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ChEBI Ontology
Outgoing 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 Sources
dezocina ChemIDplus
dezocine ChemIDplus
dezocinum ChemIDplus
Synonyms Sources
(−)-13β-amino-5,6,7,8,9,10,11α,12-octahydro-5α-methyl-5,11-methanobenzocyclodecen-3-ol ChemIDplus
Dezocine KEGG COMPOUND
Manual Xrefs Databases
847 DrugCentral
C08010 KEGG COMPOUND
D00838 KEGG DRUG
DB01209 DrugBank
DE2159324 Patent
Dezocine Wikipedia
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Registry Numbers Types Sources
3033759 Beilstein Registry Number Beilstein
53648-55-8 CAS Registry Number ChemIDplus
Last Modified
22 February 2017