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Chemical Entities of Biological Interest Ontology
Last uploaded:
December 1, 2024
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| Preferred Name | almotriptan malate | |
| Synonyms |
1-(((3-(2-(Dimethylamino)ethyl)-1H-indol-5-yl)methyl)sulfonyl)pyrrolidine hydroxybutanedioate 1-(((3-(2-(Dimethylamino)ethyl)indol-5-yl)methyl)sulfonyl)pyrrolidine malate |
|
| Definitions |
The malate salt of almotriptan. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_53781 |
|
| charge |
0
|
|
| database_cross_reference |
CAS:181183-52-8 DrugBank:DB00918 Beilstein:11352387 KEGG:D02825
|
|
| definition |
The malate salt of almotriptan.
|
|
| formula |
C17H25N3O2S.C4H6O5 C21H31N3O7S
|
|
| has part | ||
| has role |
http://purl.obolibrary.org/obo/CHEBI_35941 |
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
1-(((3-(2-(Dimethylamino)ethyl)-1H-indol-5-yl)methyl)sulfonyl)pyrrolidine hydroxybutanedioate 1-(((3-(2-(Dimethylamino)ethyl)indol-5-yl)methyl)sulfonyl)pyrrolidine malate
|
|
| id |
CHEBI:53781
|
|
| in_subset | ||
| 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
|
|
| label |
almotriptan malate
|
|
| mass |
469.55200
|
|
| monoisotopicmass |
469.18827
|
|
| notation |
CHEBI:53781
|
|
| prefLabel |
almotriptan malate
|
|
| smiles |
OC(CC(O)=O)C(O)=O.CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12
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| treeView | ||
| subClassOf |
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