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The Drug-Drug Interactions Ontology
Last uploaded:
February 11, 2016
| Id | http://purl.obolibrary.org/obo/CHEBI_7454
http://purl.obolibrary.org/obo/CHEBI_7454
|
|---|---|
| Preferred Name | nalbuphine |
| Synonyms |
Nalbuphine
nalbufina
(1S,5R,13R,14S,17S)-4-(cyclobutylmethyl)-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7,9,11(18)-triene-10,14,17-triol
C21H27NO4
nalbuphine
nalbuphinum
17-cyclobutylmethyl-4,5alpha-epoxymorphinan-3,6alpha,14-triol
N-cyclobutylmethyl-4,5alpha-epoxy-3,6alpha,14-morphinantriol
|
| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| prefLabel | nalbuphine
|
|---|---|
| label | nalbuphine
|
| ATCCode | N02AF02
|
| Definition | An organic heteropentacyclic compound that has formula C21H27NO4.
|
| has effect |
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| DBSalt | nalbuphine hydrochloride
|
| has pharmacological target | |
| activates | |
| type | |
| has role | |
| InChIKey | InChIKey=NETZHAKZCGBWSS-CEDHKZHLSA-N
|
| blocks | |
| AHFScode | 28:08.12
|
| Synonym | Nalbuphine
nalbufina
(1S,5R,13R,14S,17S)-4-(cyclobutylmethyl)-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7,9,11(18)-triene-10,14,17-triol
C21H27NO4
nalbuphine
nalbuphinum
17-cyclobutylmethyl-4,5alpha-epoxymorphinan-3,6alpha,14-triol
N-cyclobutylmethyl-4,5alpha-epoxy-3,6alpha,14-morphinantriol
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|
| xref |
KEGG COMPOUND:C07251
ChEMBL:177207
Beilstein:4566620
IUPHAR:1663
DrugBank:DB00844
Patent:US3393197
Drugs Product Database (DPD):1913972
CASRN:20594-83-6
Drugs.com:http://www.drugs.com/cdi/nalbuphine.html
RxList:http://www.rxlist.com/cgi/generic3/nalbuphine.htm
National Drug Code Directory:0555-1121-05
Guide To Pharmacology:1663
Patent:GB1119270
Wikipedia:http://en.wikipedia.org/wiki/Nalbuphine
ChEBI:7454
Wikipedia:Nalbuphine
PharmGKB:PA164745372
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| CASRN | 20594-83-6
|
| prefixIRI | obo2:CHEBI_7454
|
| SMILES |
O[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45
O[C@H]1CC[C@@]2(O)[C@H]3CC4=CC=C(O)C5=C4[C@@]2(CCN3CC2CCC2)[C@H]1O5
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| may interact with | |
| DBname | nalbuphine
|
| InChI | InChI=1S/C21H27NO4/c23-14-5-4-13-10-16-21(25)7-6-15(24)19-20(21,17(13)18(14)26-19)8-9-22(16)11-12-2-1-3-12/h4-5,12,15-16,19,23-25H,1-3,6-11H2/t15-,16+,19-,20-,21+/m0/s1
|
| DBBrand | nubain
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| subClassOf |
| Delete | Subject | Author | Type | Created |
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