ALOSETRON HYDROCHLORIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (2000)
Entry Type: Small molecule
Molecule Category: Salt
UNII: 2F5R1A46YW
Parent Compound: ALOSETRON

Structure
InChI Key FNYQZOVOVDSGJH-UHFFFAOYSA-N
Smile Cc1[nH]cnc1CN1CCc2c(c3ccccc3n2C)C1=O.Cl
InChI
InChI=1S/C17H18N4O.ClH/c1-11-13(19-10-18-11)9-21-8-7-15-16(17(21)22)12-5-3-4-6-14(12)20(15)2;/h3-6,10H,7-9H2,1-2H3,(H,18,19);1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H19ClN4O
Molecular Weight 330.82
AlogP 2.41
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 53.92
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 22.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Serotonin 3a (5-HT3a) receptor antagonist DailyMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Irritable Bowel Syndrome 4 D043183 ClinicalTrials

Related Entries

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Gastrointestinal disorders
34.7
General disorders and administration site conditions
15.07
Vascular disorders
9.13
Injury, poisoning and procedural complications
6.85
Nervous system disorders
5.94
Infections and infestations
4.57
Investigations
4.11
Psychiatric disorders
3.65
Respiratory, thoracic and mediastinal disorders
3.2
Cardiac disorders
2.74
Musculoskeletal and connective tissue disorders
2.28
Skin and subcutaneous tissue disorders
2.28

Cross References

Resources Reference
ChEBI 53783
ChEMBL CHEMBL1200885
EPA CompTox DTXSID8044208
FDA SRS 2F5R1A46YW
Guide to Pharmacology 2296
KEGG D07129
PubChem 60758
SureChEMBL SCHEMBL806
ZINC ZINC13537284
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