Rizatriptan benzoateProduct ingredient for Rizatriptan

Show full entry for Rizatriptan
Name
Rizatriptan benzoate
Drug Entry
Rizatriptan

Rizatriptan is a second-generation triptan 3 and a selective 5-HT1B and 5-HT1D receptor agonist.9 Used in the treatment of migraines, rizatriptan was first approved in the US in 1998.9 Rizatriptan is available in oral tablets, orally disintegrating tablets (wafers), and oral film formulations.

See full entry for Rizatriptan
Accession Number
DBSALT001798
Structure
Similar Structures
Synonyms
Not Available
External IDs
MK-0462
UNII
WR978S7QHH
CAS Number
145202-66-0
Weight
Average: 391.475
Monoisotopic: 391.200825065
Chemical Formula
C22H25N5O2
InChI Key
JPRXYLQNJJVCMZ-UHFFFAOYSA-N
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)
IUPAC Name
benzoic acid; dimethyl(2-{5-[(1H-1,2,4-triazol-1-yl)methyl]-1H-indol-3-yl}ethyl)amine
SMILES
OC(=O)C1=CC=CC=C1.CN(C)CCC1=CNC2=CC=C(CN3C=NC=N3)C=C12
ChemSpider
70382
ChEBI
8875
ChEMBL
CHEMBL1201032
Wikipedia
Rizatriptan
Predicted Properties
PropertyValueSource
Water Solubility0.338 mg/mLALOGPS
logP1.67ALOGPS
logP1.77Chemaxon
logS-2.9ALOGPS
pKa (Strongest Acidic)17.24Chemaxon
pKa (Strongest Basic)9.56Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area49.74 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity93.13 m3·mol-1Chemaxon
Polarizability30 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon