frovatriptan   Click here for help

GtoPdb Ligand ID: 7191

Synonyms: Frova® | SB-209509-AX | VML-251
Approved drug
frovatriptan is an approved drug (FDA (2001))
Compound class: Synthetic organic
Comment: Frovatriptan is a triptan (tryptamine-based) drug.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 4
Rotatable bonds 2
Topological polar surface area 71.9
Molecular weight 243.14
XLogP 2.35
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CNC1Cc2c(CC1)[nH]c1c2cc(cc1)C(=N)O
Isomeric SMILES CN[C@H]1Cc2c(CC1)[nH]c1c2cc(cc1)C(=N)O
InChI InChI=1S/C14H17N3O/c1-16-9-3-5-13-11(7-9)10-6-8(14(15)18)2-4-12(10)17-13/h2,4,6,9,16-17H,3,5,7H2,1H3,(H2,15,18)/t9-/m1/s1
InChI Key XPSQPHWEGNHMSK-SECBINFHSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2001))
IUPAC Name Click here for help
(3R)-3-(methylamino)-2,3,4,9-tetrahydro-1H-carbazole-6-carboximidic acid
International Nonproprietary Names Click here for help
INN number INN
7661 frovatriptan
Synonyms Click here for help
Frova® | SB-209509-AX | VML-251
Database Links Click here for help
CAS Registry No. 158747-02-5
ChEMBL Ligand CHEMBL1279
DrugBank Ligand DB00998
DrugCentral Ligand 1251
GtoPdb PubChem SID 178103766
PubChem CID 77992
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Wikipedia Frovatriptan