loading...| 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 |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_7454 |
|
| activates | ||
| AHFScode |
28:08.12 |
|
| ATCCode |
N02AF02 |
|
| blocks | ||
| CASRN |
20594-83-6 |
|
| DBBrand |
nubain |
|
| DBname |
nalbuphine |
|
| DBSalt |
nalbuphine hydrochloride |
|
| Definition |
An organic heteropentacyclic compound that has formula C21H27NO4. |
|
| has effect |
http://purl.obolibrary.org/obo/OAE_0000388 http://purl.obolibrary.org/obo/OAE_0000453 http://purl.obolibrary.org/obo/OAE_0000377 http://purl.obolibrary.org/obo/OAE_0000391 http://purl.obolibrary.org/obo/OAE_0000218 http://purl.obolibrary.org/obo/OAE_0000376 http://purl.obolibrary.org/obo/OAE_0001509 http://purl.obolibrary.org/obo/OAE_0000411 http://purl.obolibrary.org/obo/OAE_0000512 http://purl.obolibrary.org/obo/OAE_0000373 http://purl.obolibrary.org/obo/OAE_0000021 http://purl.obolibrary.org/obo/OAE_0000365 http://purl.obolibrary.org/obo/OAE_0000600 http://purl.obolibrary.org/obo/OAE_0000310 http://purl.obolibrary.org/obo/OAE_0000403 http://purl.obolibrary.org/obo/OAE_0000770 http://purl.obolibrary.org/obo/OAE_0000632 http://purl.obolibrary.org/obo/OAE_0000690 http://purl.obolibrary.org/obo/OAE_0000601 http://purl.obolibrary.org/obo/OAE_0000300 http://purl.obolibrary.org/obo/OAE_0000551 http://purl.obolibrary.org/obo/OAE_0000400 http://purl.obolibrary.org/obo/OAE_0000584 http://purl.obolibrary.org/obo/OAE_0000355 http://purl.obolibrary.org/obo/OAE_0000166 http://purl.obolibrary.org/obo/OAE_0000460 http://purl.obolibrary.org/obo/OAE_0000505 http://purl.obolibrary.org/obo/OAE_0000347 http://purl.obolibrary.org/obo/OAE_0000362 |
|
| has pharmacological target |
http://purl.obolibrary.org/obo/dinto_0760 |
|
| has role | ||
| 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 |
|
| InChIKey |
InChIKey=NETZHAKZCGBWSS-CEDHKZHLSA-N |
|
| label |
nalbuphine |
|
| may interact with |
http://purl.obolibrary.org/obo/CHEBI_3699 |
|
| prefixIRI |
obo2:CHEBI_7454 |
|
| prefLabel |
nalbuphine |
|
| 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 |
|
| 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 |
|
| 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 |
|
| subClassOf |