loading...| Preferred Name |
dapagliflozin |
|
| Synonyms |
(1S)-1,5-anhydro-1-[4-chloro-3-(4-ethoxybenzyl)phenyl]-D-glucitol dapagliflozin BMS-512148 BMS 512148 (2S,3R,4R,5S,6R)-2-(4-Chloro-3-(4-ethoxybenzyl)phenyl)-6- (hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol |
|
| Definitions |
A C-glycosyl comprising beta-D-glucose in which the anomeric hydroxy group is replaced by a 4-chloro-3-(4-ethoxybenzyl)phenyl group. Used (in the form of its propanediol monohydrate) to improve glycemic control, along with diet and exercise, in adults with type 2 diabetes. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_85078 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:38094412 KEGG:D08897 PMID:38171852 PMID:38185119 PMID:38170280 PMID:35272683 PMID:37936747 PMID:37979161 PMID:37113469 PMID:25560982 PMID:25516459 CAS:461432-26-8 PMID:38137545 PMID:25694411 PMID:38171497 PMID:25418019 PMID:37931629 PMID:25678954 PMID:37895841 PMID:33859839 PMID:20509715 PMID:38220410 PMID:25557661 Drug_Central:4304 PMID:25351341 PMID:23724409 PMID:25609661 PMID:30000030 DrugBank:DB06292 PMID:38044448 PMID:25648671 PMID:25710563 PMID:38017482 PMID:37549309 PMCID:PMC10706647 PMID:38124408 PMID:38133155 PMID:37664712 PMID:25421015 PMID:25200570 Reaxys:11966426 PMID:38128857 PMID:38031729 PMID:24840612 PMID:38097862 PMID:25688892 PMID:25438821 PMID:25671589 PMID:37758208 PMID:32454718 Wikipedia:Dapagliflozin PMID:25688893 PMID:25592197 PMID:38117458 |
|
| definition |
A C-glycosyl comprising beta-D-glucose in which the anomeric hydroxy group is replaced by a 4-chloro-3-(4-ethoxybenzyl)phenyl group. Used (in the form of its propanediol monohydrate) to improve glycemic control, along with diet and exercise, in adults with type 2 diabetes. |
|
| formula |
C21H25ClO6 |
|
| has role | ||
| has_exact_synonym |
(1S)-1,5-anhydro-1-[4-chloro-3-(4-ethoxybenzyl)phenyl]-D-glucitol |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
dapagliflozin BMS-512148 BMS 512148 (2S,3R,4R,5S,6R)-2-(4-Chloro-3-(4-ethoxybenzyl)phenyl)-6- (hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol |
|
| id |
CHEBI:85078 |
|
| in_subset | ||
| inchi |
InChI=1S/C21H25ClO6/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18-,19+,20-,21+/m1/s1 |
|
| inchikey |
JVHXJTBJCFBINQ-ADAARDCZSA-N |
|
| label |
dapagliflozin |
|
| mass |
408.87300 |
|
| monoisotopicmass |
408.13397 |
|
| notation |
CHEBI:85078 |
|
| prefLabel |
dapagliflozin |
|
| smiles |
CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_20857 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_20857 |