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Biological and Environmental Research Ontology
| Preferred Name | sumatriptan | |
| Synonyms |
1-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]-N-methyl-methanesulfonamide 3-[2-(dimethylamino)ethyl]-N-methylindole-5-methanesulfonamide 3-(2-(dimethylamino)ethyl)-N-methyl-1H-indole-5-methanesulfonamide sumatriptan (3-[2-(dimethylamino)ethyl]-1H-indol-5-yl)-N-methylmethanesulfonamide sumatriptanum Imigran Imitrex Sumatran Sumax 1-{3-[2-(dimethylamino)ethyl]-1H-indol-5-yl}-N-methylmethanesulfonamide |
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| Definitions |
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. |
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| ID |
http://purl.obolibrary.org/obo/CHEBI_10650 |
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| alternative term |
1-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]-N-methyl-methanesulfonamide 3-[2-(dimethylamino)ethyl]-N-methylindole-5-methanesulfonamide 3-(2-(dimethylamino)ethyl)-N-methyl-1H-indole-5-methanesulfonamide sumatriptan (3-[2-(dimethylamino)ethyl]-1H-indol-5-yl)-N-methylmethanesulfonamide sumatriptanum Imigran Imitrex Sumatran Sumax 1-{3-[2-(dimethylamino)ethyl]-1H-indol-5-yl}-N-methylmethanesulfonamide
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| bearer of | ||
| charge |
0
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| database_cross_reference |
Reaxys:5346011 HMDB:HMDB0005037 PMID:16142613 DrugBank:DB00669 PMID:19619527 CAS:103628-46-2 PMID:18442019 PMID:16120224 PMID:22106962 PMID:12856385 PMID:15652399 KEGG:D00451 PMID:11045888 Wikipedia:Sumatriptan LINCS:LSM-5618 PMID:17557349 PMID:22150557 PMID:22272067 PMID:22435741 PMID:19825906 PMID:22302025 PMID:12172708 KEGG:C07319 PMID:12917936 Drug_Central:2543 Beilstein:5346011 PMID:22336849 PMID:22336867 PMID:22336868 PMID:11401410
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|
| definition |
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.
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|
| formula |
C14H21N3O2S
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|
| has_exact_synonym |
1-{3-[2-(dimethylamino)ethyl]-1H-indol-5-yl}-N-methylmethanesulfonamide
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| has_functional_parent | ||
| has_obo_namespace |
chebi_ontology
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| has_related_synonym |
1-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]-N-methyl-methanesulfonamide 3-[2-(dimethylamino)ethyl]-N-methylindole-5-methanesulfonamide 3-(2-(dimethylamino)ethyl)-N-methyl-1H-indole-5-methanesulfonamide sumatriptan (3-[2-(dimethylamino)ethyl]-1H-indol-5-yl)-N-methylmethanesulfonamide sumatriptanum Imigran Imitrex Sumatran Sumax
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|
| id |
CHEBI:10650
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| in_subset | ||
| inchi |
InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3
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| inchikey |
KQKPFRSPSRPDEB-UHFFFAOYSA-N
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| is_conjugate_acid_of | ||
| label |
sumatriptan
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|
| mass |
295.40000
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|
| monoisotopicmass |
295.13545
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| notation |
CHEBI:10650
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| prefLabel |
sumatriptan
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| RO_0000087 | ||
| smiles |
CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1
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| subClassOf |
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