Frovatriptan succinateProduct ingredient for Frovatriptan

Name
Frovatriptan succinate
Drug Entry
Frovatriptan

Frovatriptan is a triptan drug developed by Vernalis for the treatment of migraine headaches, in particular those associated with menstruation. Frovatriptan causes vasoconstriction of arteries and veins that supply blood to the head.

Accession Number
DBSALT001958
Structure
Synonyms
Frovatriptan succinate / Frovatriptan succinate hydrate / Frovatriptan succinate monohydrate
External IDs
SB 209509 AX / SB 209509-AX / SB-209509AX / VML 251 / VML-251
UNII
D28J6W18HY
CAS Number
158930-17-7
Weight
Average: 379.413
Monoisotopic: 379.174335537
Chemical Formula
C18H25N3O6
InChI Key
CUETXFMONOSVJA-KLQYNRQASA-N
InChI
InChI=1S/C14H17N3O.C4H6O4.H2O/c1-16-9-3-5-13-11(7-9)10-6-8(14(15)18)2-4-12(10)17-13;5-3(6)1-2-4(7)8;/h2,4,6,9,16-17H,3,5,7H2,1H3,(H2,15,18);1-2H2,(H,5,6)(H,7,8);1H2/t9-;;/m1../s1
IUPAC Name
(3R)-3-(methylamino)-2,3,4,9-tetrahydro-1H-carbazole-6-carboxamide butanedioic acid hydrate
SMILES
O.OC(=O)CCC(O)=O.CN[C@@H]1CCC2=C(C1)C1=C(N2)C=CC(=C1)C(N)=O
ChemSpider
134799
ChEMBL
CHEMBL2138684
Wikipedia
Frovatriptan
Predicted Properties
PropertyValueSource
Water Solubility0.123 mg/mLALOGPS
logP1.2ALOGPS
logP1.08Chemaxon
logS-3.3ALOGPS
pKa (Strongest Acidic)14.54Chemaxon
pKa (Strongest Basic)10.42Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area70.91 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity71.84 m3·mol-1Chemaxon
Polarizability27.63 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon