Molecular Identity
Sumatriptan
1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide
PubChem CID: 5358
Sumatriptan is a sulfonamide that consists of N,N-dimethyltryptamine bearing an additional (N-methylsulfamoyl)methyl substituent at position 5. Selective agonist for a vascular 5-HT1 receptor subtype (probably a member of the 5-HT1D family). Used (in the form of its succinate salt) for the acute treatment of migraine with or without aura in adults. It has a role as a serotonergic agonist and a vasoconstrictor agent. It is a member of tryptamines and a sulfonamide. It is functionally related to a N,N-dimethyltryptamine. It is a conjugate base of a sumatriptan(1+).
2D Structure
Properties
C14H21N3O2S
Molecular Formula
295.40
Molecular Weight
g/mol
295.1354
Exact Mass
Da
0.9
XLogP
Drug-like (Lipinski: < 5)
73.6
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
4
H-Bond Acceptors
405
Complexity
SMILES
Canonical SMILES
SMILES: CNS(=O)(=O)CC1=CC2=C(C=C1)NC=C2CCN(C)CIsomeric SMILES
SMILES: CNS(=O)(=O)CC1=CC2=C(C=C1)NC=C2CCN(C)CSynonyms(20)
sumatriptan103628-46-2ImitrexSumatranSumaxImigranSumatriptanumImigran Recovery1-(3-(2-(dimethylamino)ethyl)-1H-indol-5-yl)-N-methylmethanesulfonamide3-(2-(Dimethylamino)ethyl)-N-methyl-1H-indole-5-methanesulfonamideDTXSID40236281-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]-N-methyl-methanesulfonamide1-{3-[2-(dimethylamino)ethyl]-1H-indol-5-yl}-N-methylmethanesulfonamideTOSYMRA8R78F6L9VO
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Sumatriptan
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