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The Prescription of Drugs Ontology
Last uploaded:
September 4, 2020
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| Preferred Name | Nalbuphine | |
| Synonyms |
N-cyclobutylmethyl-4,5alpha-epoxy-3,6alpha,14-morphinantriol nalbuphinum nalbufina nalbuphine 17-cyclobutylmethyl-4,5alpha-epoxymorphinan-3,6alpha,14-triol Nalbuphine |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_7454 |
|
| alternative term |
N-cyclobutylmethyl-4,5alpha-epoxy-3,6alpha,14-morphinantriol nalbuphinum nalbufina nalbuphine 17-cyclobutylmethyl-4,5alpha-epoxymorphinan-3,6alpha,14-triol Nalbuphine
|
|
| bearer_of | ||
| charge |
0
|
|
| database_cross_reference |
DrugBank:DB00844 Drug_Central:1874 Patent:US3393197 Wikipedia:Nalbuphine CAS:20594-83-6 KEGG:D08246 KEGG:C07251 LINCS:LSM-3477 Beilstein:4566620 Patent:GB1119270
|
|
| formula |
C21H27NO4
|
|
| has parent hydride | ||
| has role | ||
| has_exact_synonym |
17-cyclobutylmethyl-4,5alpha-epoxymorphinan-3,6alpha,14-triol Nalbuphine
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
N-cyclobutylmethyl-4,5alpha-epoxy-3,6alpha,14-morphinantriol nalbuphinum nalbufina nalbuphine
|
|
| has_RxCUI |
7238
|
|
| id |
CHEBI:7454
|
|
| in_subset | ||
| 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 |
NETZHAKZCGBWSS-CEDHKZHLSA-N
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|
| is bearer of | ||
| label |
Nalbuphine nalbuphine
|
|
| mass |
357.44342
|
|
| monoisotopicmass |
357.19401
|
|
| notation |
CHEBI:7454
|
|
| prefixIRI |
CHEBI:7454
|
|
| prefLabel |
Nalbuphine
|
|
| smiles |
O[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45
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|
| subClassOf |
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