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Neuroscience Information Framework (NIF) Standard Ontology
Last uploaded:
February 10, 2018
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| Preferred Name | ezetimibe | |
| Synonyms |
Zetia Ezedoc ezetimiba ezetimibum ezetimibe Ezetrol (3R,4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)azetidin-2-one |
|
| Definitions |
A beta-lactam that is azetidin-2-one which is substituted at 1, 3, and 4 by p-fluorophenyl, 3-(p-fluorophenyl)-3-hydroxypropyl, and 4-hydroxyphenyl groups, respectively (the 3R,3'S,4S enantiomer). |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_49040 |
|
| alternative label |
Zetia Ezedoc ezetimiba ezetimibum ezetimibe Ezetrol (3R,4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)azetidin-2-one
|
|
| charge |
0
|
|
| database_cross_reference |
CAS:163222-33-1 DrugBank:DB00973 PMID:17587760 Reaxys:7981967 Drug_Central:1125 Beilstein:7981967 PMID:23266293 LINCS:LSM-5536 PMID:23510093 PMID:18585981 PMID:23471229 PMID:23538020 HMDB:HMDB0015108 Wikipedia:Ezetimibe PMID:23219178 KEGG:D01966 PMID:23317398
|
|
| definition |
A beta-lactam that is azetidin-2-one which is substituted at 1, 3, and 4 by p-fluorophenyl, 3-(p-fluorophenyl)-3-hydroxypropyl, and 4-hydroxyphenyl groups, respectively (the 3R,3'S,4S enantiomer).
|
|
| formula |
C24H21F2NO3
|
|
| has characteristic | ||
| has exact synonym |
(3R,4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)azetidin-2-one
|
|
| has role | ||
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
Zetia Ezedoc ezetimiba ezetimibum ezetimibe Ezetrol
|
|
| id |
CHEBI:49040
|
|
| in_subset | ||
| inchi |
InChI=1S/C24H21F2NO3/c25-17-5-1-15(2-6-17)22(29)14-13-21-23(16-3-11-20(28)12-4-16)27(24(21)30)19-9-7-18(26)8-10-19/h1-12,21-23,28-29H,13-14H2/t21-,22+,23-/m1/s1
|
|
| inchikey |
OLNTVTPDXPETLC-XPWALMASSA-N
|
|
| label |
ezetimibe
|
|
| mass |
409.42520
|
|
| monoisotopicmass |
409.14895
|
|
| notation |
CHEBI:49040
|
|
| note |
A beta-lactam that is azetidin-2-one which is substituted at 1, 3, and 4 by p-fluorophenyl, 3-(p-fluorophenyl)-3-hydroxypropyl, and 4-hydroxyphenyl groups, respectively (the 3R,3'S,4S enantiomer).
|
|
| preferred label |
ezetimibe
|
|
| prefLabel |
ezetimibe
|
|
| smiles |
[H][C@]1(CC[C@H](O)c2ccc(F)cc2)C(=O)N(c2ccc(F)cc2)[C@]1([H])c1ccc(O)cc1
|
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_37143 |
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