Molecular Identity
Zolmitriptan
(4S)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
PubChem CID: 60857
Zolmitriptan is a member of the class of tryptamines that is N,N-dimethyltryptamine in which the hydrogen at position 5 of the indole ring has been replaced by a [(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl group. A serotonin 5-HT1 B and D receptor agonist, it is used for the treatment of migraine. It has a role as an anti-inflammatory drug, a serotonergic agonist and a vasoconstrictor agent. It is a member of tryptamines and an oxazolidinone. It is functionally related to a N,N-dimethyltryptamine.
2D Structure
Properties
C16H21N3O2
Molecular Formula
287.36
Molecular Weight
g/mol
287.1634
Exact Mass
Da
2.2
XLogP
Drug-like (Lipinski: < 5)
57.4
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
3
H-Bond Acceptors
375
Complexity
SMILES
Canonical SMILES
SMILES: CN(C)CCC1=CNC2=C1C=C(C=C2)CC3COC(=O)N3Isomeric SMILES
SMILES: CN(C)CCC1=CNC2=C1C=C(C=C2)C[C@H]3COC(=O)N3Synonyms(20)
zolmitriptan139264-17-8ZomigZomigoroZomig-ZMT311C90AscoTopzolmitriptanumDTXSID8045933Cvt-4272FS66TH3YWNSC-760383(4S)-4-({3-[2-(dimethylamino)ethyl]-1H-indol-5-yl}methyl)-1,3-oxazolidin-2-one(4S)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one4-((3-(2-(Dimethylamino)ethyl)-1H-indol-5-yl)methyl)-2-oxazolidinone
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Zolmitriptan
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