PALONOSETRON HYDROCHLORIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (2003)
Entry Type: Small molecule
Molecule Category: Salt
UNII: 23310D4I19
Parent Compound: PALONOSETRON

Structure
InChI Key OLDRWYVIKMSFFB-SSPJITILSA-N
Smile Cl.O=C1c2cccc3c2[C@H](CCC3)CN1[C@@H]1CN2CCC1CC2
InChI
InChI=1S/C19H24N2O.ClH/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20;/h2,4,6,13,15,17H,1,3,5,7-12H2;1H/t15-,17-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H25ClN2O
Molecular Weight 332.88
AlogP 2.66
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 1.0
Polar Surface Area 23.55
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 22.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Serotonin 3a (5-HT3a) receptor antagonist FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Ligand-gated ion channel 5HT3 receptor
- - - 0 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Nausea 4 D009325 ClinicalTrials
Nausea 4 D009325 ClinicalTrials

Related Entries

Scaffolds

Parent
Mixture
Mixture

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Gastrointestinal disorders
13.44
Nervous system disorders
10.58
General disorders and administration site conditions
8.3
Cardiac disorders
7.54
Vascular disorders
7.36
Investigations
7.01
Skin and subcutaneous tissue disorders
5.32
Injury, poisoning and procedural complications
5.08
Musculoskeletal and connective tissue disorders
4.68
Product issues
4.44
Respiratory, thoracic and mediastinal disorders
4.21
Immune system disorders
4.09
Infections and infestations
4.09
Blood and lymphatic system disorders
3.68
Psychiatric disorders
3.39

Cross References

Resources Reference
ChEBI 85157
ChEMBL CHEMBL1720
EPA CompTox DTXSID8046610
FDA SRS 23310D4I19
KEGG D07175
PubChem 6918303
SureChEMBL SCHEMBL182478
ZINC ZINC03795819
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