loading...| Preferred Name |
eletriptan |
|
| Synonyms |
3-{[(2R)-1-methylpyrrolidin-2-yl]methyl}-5-[2-(phenylsulfonyl)ethyl]-1H-indole eletriptanum eletriptan |
|
| Definitions |
An N-alkylpyrrolidine, that is N-methylpyrrolidine in which the pro-R hydrogen at position 2 is replaced by a {5-[2-(phenylsulfonyl)ethyl]-1H-indol-3-yl}methyl group. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_50922 |
|
| charge |
0 |
|
| database_cross_reference |
Patent:US5545644 Patent:WO9206973 CAS:143322-58-1 DrugBank:DB00216 Patent:US6110940 Reaxys:8441596 Wikipedia:Eletriptan Drug_Central:995 KEGG:D07887 |
|
| definition |
An N-alkylpyrrolidine, that is N-methylpyrrolidine in which the pro-R hydrogen at position 2 is replaced by a {5-[2-(phenylsulfonyl)ethyl]-1H-indol-3-yl}methyl group. |
|
| formula |
C22H26N2O2S |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_35941 |
|
| has_exact_synonym |
3-{[(2R)-1-methylpyrrolidin-2-yl]methyl}-5-[2-(phenylsulfonyl)ethyl]-1H-indole |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
eletriptanum eletriptan |
|
| has_RxCUI |
231049 |
|
| id |
CHEBI:50922 |
|
| in_subset | ||
| inchi |
InChI=1S/C22H26N2O2S/c1-24-12-5-6-19(24)15-18-16-23-22-10-9-17(14-21(18)22)11-13-27(25,26)20-7-3-2-4-8-20/h2-4,7-10,14,16,19,23H,5-6,11-13,15H2,1H3/t19-/m1/s1 |
|
| inchikey |
PWVXXGRKLHYWKM-LJQANCHMSA-N |
|
| is conjugate base of | ||
| label |
eletriptan |
|
| mass |
382.520 |
|
| monoisotopicmass |
382.17150 |
|
| notation |
CHEBI:50922 |
|
| prefLabel |
eletriptan |
|
| smiles |
C1=CC=CC=C1S(CCC2=CC3=C(C=C2)NC=C3C[C@@H]4N(CCC4)C)(=O)=O |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_35850 |