NALBUPHINE HYDROCHLORIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (1979)
Entry Type: Small molecule
Molecule Category: Salt
UNII: ZU4275277R
Parent Compound: NALBUPHINE

Structure
InChI Key YZLZPSJXMWGIFH-BCXQGASESA-N
Smile Cl.Oc1ccc2c3c1O[C@H]1[C@@H](O)CC[C@@]4(O)[C@@H](C2)N(CC2CCC2)CC[C@]314
InChI
InChI=1S/C21H27NO4.ClH/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;1H/t15-,16+,19-,20-,21+;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H28ClNO4
Molecular Weight 393.91
AlogP 1.71
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 73.16
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 26.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Opioid receptors; mu/kappa/delta agonist DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 87

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pruritus 3 D011537 ClinicalTrials
Leukemia, Myeloid, Acute 3 D015470 ClinicalTrials
Cleft Palate 3 D002972 ClinicalTrials
Postoperative Complications 2 D011183 ClinicalTrials
Rotator Cuff Injuries 2 D000070636 ClinicalTrials
Delirium 1 D003693 ClinicalTrials
Liver Diseases 1 D008107 ClinicalTrials
Opioid-Related Disorders 1 D009293 ClinicalTrials

Related Entries

Scaffolds

Parent

Side Effects from Label

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Immune system disorders
19.9
Injury, poisoning and procedural complications
15.31
Psychiatric disorders
13.27
Nervous system disorders
12.24
Gastrointestinal disorders
7.14
Skin and subcutaneous tissue disorders
5.1
Cardiac disorders
4.59
General disorders and administration site conditions
4.59
Investigations
4.59
Vascular disorders
4.08
Respiratory, thoracic and mediastinal disorders
3.06
Pregnancy, puerperium and perinatal conditions
2.55
Musculoskeletal and connective tissue disorders
2.04

Cross References

Resources Reference
ChEBI 7455
ChEMBL CHEMBL1201132
EPA CompTox DTXSID20177844
FDA SRS ZU4275277R
KEGG C07251
PubChem 5360733
SureChEMBL SCHEMBL41123
ZINC ZINC03812989
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