DOLASETRON MESYLATE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII U3C8E5BWKR
Parent Compound: DOLASETRON

Structure

InChI Key QTFFGPOXNNGTGZ-LIFGOUTFSA-N
Smiles CS(=O)(=O)O.O.O=C(O[C@@H]1C[C@@H]2C[C@H]3C[C@H](C1)N2CC3=O)c1c[nH]c2ccccc12
InChI
InChI=1S/C19H20N2O3.CH4O3S.H2O/c22-18-10-21-12-5-11(18)6-13(21)8-14(7-12)24-19(23)16-9-20-17-4-2-1-3-15(16)17;1-5(2,3)4;/h1-4,9,11-14,20H,5-8,10H2;1H3,(H,2,3,4);1H2/t11-,12-,13+,14+;;

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H26N2O7S
Molecular Weight 438.5
AlogP 2.52
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 62.4
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 24.0

Pharmacology

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

Target Conservation

Protein: Serotonin 3a (5-HT3a) receptor
Description: 5-hydroxytryptamine receptor 3A
Organism : Homo sapiens
P46098 ENSG00000166736

Cross References

Resources Reference
ChEMBL CHEMBL2368924
FDA SRS U3C8E5BWKR
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