Almotriptan
N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine
Molecular Identity
Almotriptan
N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine
PubChem CID: 123606
Almotriptan is an indole compound having a 2-(dimethylamino)ethyl group at the 3-position and a (pyrrolidin-1-ylsulfonyl)methyl group at the 5-position. It has a role as a non-steroidal anti-inflammatory drug, a serotonergic agonist and a vasoconstrictor agent. It is a member of indoles, a tertiary amine and a sulfonamide.
2D Structure
Properties
C17H25N3O2S
Molecular Formula
335.50
Molecular Weight
g/mol
335.1667
Exact Mass
Da
1.6
XLogP
Drug-like (Lipinski: < 5)
64.8
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
4
H-Bond Acceptors
483
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Almotriptan154323-57-6AlmogranLAS-31416NSC-7600921O4XL5SN61DTXSID50442891-(((3-(2-(Dimethylamino)ethyl)indol-5-yl)methyl)sulfonyl)pyrrolidineLAS31416Pyrrolidine, 1-(((3-(2-(dimethylamino)ethyl)-1H-indol-5-yl)methyl)sulfonyl)-dimethyl(2-{5-[(pyrrolidine-1-sulfonyl)methyl]-1H-indol-3-yl}ethyl)amineDTXCID3024289CHEBI:520985Pyrrolidine, 1-[[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]sulfonyl]-almotriptanum
Data from PubChem (NCBI)
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