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The Prescription of Drugs Ontology
Last uploaded:
September 4, 2020
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| Preferred Name | almotriptan | |
| Synonyms |
1-(((3-(2-(Dimethylamino)ethyl)indol-5-yl)methyl)sulfonyl)pyrrolidine almotriptan N,N-dimethyl-2-{5-[(pyrrolidin-1-ylsulfonyl)methyl]-1H-indol-3-yl}ethanamine |
|
| Definitions |
An indole compound having a 2-(dimethylamino)ethyl group at the 3-position and a (pyrrolidin-1-ylsulfonyl)methyl group at the 5-position. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_520985 |
|
| alternative term |
1-(((3-(2-(Dimethylamino)ethyl)indol-5-yl)methyl)sulfonyl)pyrrolidine almotriptan N,N-dimethyl-2-{5-[(pyrrolidin-1-ylsulfonyl)methyl]-1H-indol-3-yl}ethanamine
|
|
| bearer_of |
http://purl.obolibrary.org/obo/CHEBI_35941 |
|
| charge |
0
|
|
| database_cross_reference |
DrugBank:DB00918 Drug_Central:128 LINCS:LSM-25659 Patent:US5565447 KEGG:D02824 PMID:17870541 Beilstein:8789271 Patent:WO942460 Wikipedia:Almotriptan CAS:154323-57-6
|
|
| formula |
C17H25N3O2S
|
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_35941 |
|
| has_exact_synonym |
N,N-dimethyl-2-{5-[(pyrrolidin-1-ylsulfonyl)methyl]-1H-indol-3-yl}ethanamine
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
1-(((3-(2-(Dimethylamino)ethyl)indol-5-yl)methyl)sulfonyl)pyrrolidine almotriptan
|
|
| has_RxCUI |
279645
|
|
| id |
CHEBI:520985
|
|
| in_subset | ||
| inchi |
InChI=1S/C17H25N3O2S/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/h5-6,11-12,18H,3-4,7-10,13H2,1-2H3
|
|
| inchikey |
WKEMJKQOLOHJLZ-UHFFFAOYSA-N
|
|
| label |
almotriptan
|
|
| mass |
335.46400
|
|
| monoisotopicmass |
335.16675
|
|
| notation |
CHEBI:520985
|
|
| prefixIRI |
CHEBI:520985
|
|
| prefLabel |
almotriptan
|
|
| smiles |
CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12
|
|
| textual definition |
An indole compound having a 2-(dimethylamino)ethyl group at the 3-position and a (pyrrolidin-1-ylsulfonyl)methyl group at the 5-position.
|
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_35358 |
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