CHEBI:53781 - almotriptan malate

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ChEBI Name almotriptan malate
ChEBI ID CHEBI:53781
Definition The malate salt of almotriptan.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formulae C17H25N3O2S.C4H6O5
C21H31N3O7S
Net Charge 0
Average Mass 469.55200
Monoisotopic Mass 469.18827
InChI InChI=1S/C17H25N3O2S.C4H6O5/c1-19(2)10-7-15-12-18-17-6-5-14(11-16(15)17)13-23(21,22)20-8-3-4-9-20;5-2(4(8)9)1-3(6)7/h5-6,11-12,18H,3-4,7-10,13H2,1-2H3;2,5H,1H2,(H,6,7)(H,8,9)
InChIKey QHATUKWEVNMHRY-UHFFFAOYSA-N
SMILES OC(CC(O)=O)C(O)=O.CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12
Roles Classification
Biological Role(s): serotonergic agonist
An agent that has an affinity for serotonin receptors and is able to mimic the effects of serotonin by stimulating the physiologic activity at the cell receptors. Serotonin agonists are used as antidepressants, anxiolytics, and in the treatment of migraine disorders.
Application(s): vasoconstrictor agent
Drug used to cause constriction of the blood vessels.
serotonergic agonist
An agent that has an affinity for serotonin receptors and is able to mimic the effects of serotonin by stimulating the physiologic activity at the cell receptors. Serotonin agonists are used as antidepressants, anxiolytics, and in the treatment of migraine disorders.
non-steroidal anti-inflammatory drug
An anti-inflammatory drug that is not a steroid. In addition to anti-inflammatory actions, non-steroidal anti-inflammatory drugs have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins.
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ChEBI Ontology
Outgoing almotriptan malate (CHEBI:53781) has part almotriptan (CHEBI:520985)
almotriptan malate (CHEBI:53781) has role non-steroidal anti-inflammatory drug (CHEBI:35475)
almotriptan malate (CHEBI:53781) has role serotonergic agonist (CHEBI:35941)
almotriptan malate (CHEBI:53781) has role vasoconstrictor agent (CHEBI:50514)
almotriptan malate (CHEBI:53781) is a malate salt (CHEBI:50220)
Synonyms Sources
1-(((3-(2-(Dimethylamino)ethyl)-1H-indol-5-yl)methyl)sulfonyl)pyrrolidine hydroxybutanedioate ChemIDplus
1-(((3-(2-(Dimethylamino)ethyl)indol-5-yl)methyl)sulfonyl)pyrrolidine malate ChemIDplus
Manual Xrefs Databases
D02825 KEGG DRUG
DB00918 DrugBank
View more database links
Registry Numbers Types Sources
11352387 Beilstein Registry Number Beilstein
181183-52-8 CAS Registry Number DrugBank
181183-52-8 CAS Registry Number KEGG DRUG
181183-52-8 CAS Registry Number ChemIDplus
Last Modified
10 December 2009