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CHEBI:3243 - butorphanol D-tartrate

Default Structure
ChEBI IDCHEBI:3243
ChEBI Namebutorphanol D-tartrate
Stars
ASCII Namebutorphanol D-tartrate
DefinitionThe (S,S)-tartaric acid salt of butorphanol. It is used for relief or moderate to severe pain.
Secondary ChEBI IDCHEBI:176963
Last Modified26 April 2010
DownloadsMolfile
FormulaC21H29NO2.C4H6O6
Net Charge0
Average Mass477.554
Monoisotopic Mass477.23627
SMILESO=C(O)[C@@H](O)[C@H](O)C(=O)O.Oc1ccc2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)N(CC1CCC1)CC3
InChIInChI=1S/C21H29NO2.C4H6O6/c23-17-7-6-16-12-19-21(24)9-2-1-8-20(21,18(16)13-17)10-11-22(19)14-15-4-3-5-15;5-1(3(7)8)2(6)4(9)10/h6-7,13,15,19,23-24H,1-5,8-12,14H2;1-2,5-6H,(H,7,8)(H,9,10)/t19-,20+,21-;1-,2-/m10/s1
InChIKeyGMTYREVWZXJPLF-AFHUBHILSA-N
Roles Classification
Biological Roles:
mu-opioid receptor agonist  A compound that exhibits agonist activity at the μ-opioid receptor.
kappa-opioid receptor agonist  A compound that exhibits agonist activity at the κ-opioid receptor.
opioid analgesic  A narcotic or opioid substance, synthetic or semisynthetic agent producing profound analgesia, drowsiness, and changes in mood.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Applications:
mu-opioid receptor agonist  A compound that exhibits agonist activity at the μ-opioid receptor.
kappa-opioid receptor agonist  A compound that exhibits agonist activity at the κ-opioid receptor.
opioid analgesic  A narcotic or opioid substance, synthetic or semisynthetic agent producing profound analgesia, drowsiness, and changes in mood.
ChEBI Ontology
Outgoing Relation(s)
butorphanol D-tartrate (CHEBI:3243) has part butorphanol (CHEBI:3242)
butorphanol D-tartrate (CHEBI:3243) has role opioid analgesic (CHEBI:35482)
butorphanol D-tartrate (CHEBI:3243) has role κ-opioid receptor agonist (CHEBI:59282)
butorphanol D-tartrate (CHEBI:3243) has role μ-opioid receptor agonist (CHEBI:55322)
butorphanol D-tartrate (CHEBI:3243) is a morphinane alkaloid (CHEBI:25418)
butorphanol D-tartrate (CHEBI:3243) is a tartrate salt (CHEBI:50562)
IUPAC Name 
17-(cyclobutylmethyl)morphinan-3,14-diol (2S,3S)-2,3-dihydroxybutanedioate
Synonyms  Source
(−)-17-(cyclobutylmethyl)morphinan-3,14-diol D-(−)-tartrateChemIDplus
17-(cyclobutylmethyl)morphinan-3,14-diyl [S-(R*,R*)]-2,3-dihydroxysuccinateChemIDplus
butorphanol (S,S)-tartrateChEBI
butorphanol D-tartrateChEBI
butorphanol (−)-tartrateChEBI
(−)-N-cyclobutylmethyl-3,14-dihydroxymorphinan D-(−)-tartrateChEBI
Manual XrefsDatabases
D00837KEGG DRUG
DB00611DrugBank
Registry NumbersSources
Beilstein:5234837Beilstein
CAS:58786-99-5ChemIDplus
CAS:58786-99-5KEGG DRUG