loading...| Preferred Name |
almotriptan |
|
| Synonyms |
N,N-dimethyl-2-{5-[(pyrrolidin-1-ylsulfonyl)methyl]-1H-indol-3-yl}ethanamine almotriptan 1-(((3-(2-(Dimethylamino)ethyl)indol-5-yl)methyl)sulfonyl)pyrrolidine |
|
| 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 |
|
| charge |
0 |
|
| database_cross_reference |
Wikipedia:Almotriptan KEGG:D02824 Drug_Central:128 LINCS:LSM-25659 Patent:WO942460 CAS:154323-57-6 PMID:17870541 DrugBank:DB00918 Beilstein:8789271 Patent:US5565447 |
|
| 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. |
|
| 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 |
almotriptan 1-(((3-(2-(Dimethylamino)ethyl)indol-5-yl)methyl)sulfonyl)pyrrolidine |
|
| 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 |
|
| prefLabel |
almotriptan |
|
| smiles |
CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12 |
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_35358 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_35358 |