EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

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:
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.
mu-opioid receptor agonist  A compound that exhibits agonist activity at the μ-opioid receptor.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Applications:
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.
mu-opioid receptor agonist  A compound that exhibits agonist activity at the μ-opioid receptor.
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