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> Main
CHEBI:7454 - nalbuphine
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ChEBI Ontology
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ChEBI Name
nalbuphine
ChEBI ID
CHEBI:7454
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C21H27NO4
Net Charge
0
Average Mass
357.44342
Monoisotopic Mass
357.19401
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
SMILES
O[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45
Roles Classification
Biological Role
(s):
mu-opioid receptor antagonist
Any compound that exhibits antagonist activity at the
mu
-opioid receptor
opioid analgesic
A narcotic or opioid substance, synthetic or semisynthetic agent producing profound analgesia, drowsiness, and changes in mood.
Application
(s):
mu-opioid receptor antagonist
Any compound that exhibits antagonist activity at the
mu
-opioid receptor
opioid analgesic
A narcotic or opioid substance, synthetic or semisynthetic agent producing profound analgesia, drowsiness, and changes in mood.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
nalbuphine (
CHEBI:7454
)
has parent hydride
morphinan (
CHEBI:35649
)
nalbuphine (
CHEBI:7454
)
has role
μ-opioid receptor antagonist (
CHEBI:50137
)
nalbuphine (
CHEBI:7454
)
has role
opioid analgesic (
CHEBI:35482
)
nalbuphine (
CHEBI:7454
)
is a
organic heteropentacyclic compound (
CHEBI:38164
)
Incoming
nalbuphine hydrochloride (
CHEBI:7455
)
has part
nalbuphine (
CHEBI:7454
)
IUPAC Name
17-cyclobutylmethyl-4,5α-epoxymorphinan-3,6α,14-triol
INNs
Sources
nalbufina
WHO MedNet
nalbuphine
WHO MedNet
nalbuphine
ChemIDplus
nalbuphinum
WHO MedNet
Synonyms
Sources
N
-cyclobutylmethyl-4,5α-epoxy-3,6α,14-morphinantriol
ChemIDplus
Nalbuphine
KEGG COMPOUND
Manual Xrefs
Databases
1874
DrugCentral
C07251
KEGG COMPOUND
D08246
KEGG DRUG
DB00844
DrugBank
GB1119270
Patent
LSM-3477
LINCS
Nalbuphine
Wikipedia
US3393197
Patent
View more database links
Registry Numbers
Types
Sources
20594-83-6
CAS Registry Number
ChemIDplus
4566620
Beilstein Registry Number
Beilstein
Last Modified
22 February 2017