RIZATRIPTAN BENZOATE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII WR978S7QHH
EPA CompTox DTXSID20162937
Parent Compound: RIZATRIPTAN

Structure

InChI Key JPRXYLQNJJVCMZ-UHFFFAOYSA-N
Smiles CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12.O=C(O)c1ccccc1
InChI
InChI=1S/C15H19N5.C7H6O2/c1-19(2)6-5-13-8-17-15-4-3-12(7-14(13)15)9-20-11-16-10-18-20;8-7(9)6-4-2-1-3-5-6/h3-4,7-8,10-11,17H,5-6,9H2,1-2H3;1-5H,(H,8,9)

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H25N5O2
Molecular Weight 391.48
AlogP 1.91
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 49.74
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 20.0

Pharmacology

Mechanism of Action Action Reference
Serotonin 1b (5-HT1b) receptor agonist AGONIST FDA

Target Conservation

Protein: Serotonin 1d (5-HT1d) receptor
Description: 5-hydroxytryptamine receptor 1D
Organism : Homo sapiens
P28221 ENSG00000179546
Protein: Serotonin 1b (5-HT1b) receptor
Description: 5-hydroxytryptamine receptor 1B
Organism : Homo sapiens
P28222 ENSG00000135312

Cross References

Resources Reference
ChEBI 8875
ChEMBL CHEMBL1201032
FDA SRS WR978S7QHH
Guide to Pharmacology 51
KEGG D08485
PubChem 77997
SureChEMBL SCHEMBL41226
ZINC ZINC00005895
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