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Chemical Entities of Biological Interest Ontology
Last uploaded:
December 1, 2024
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| Preferred Name | tafluprost | |
| Synonyms |
tafluprost Zioptan isopropyl (5Z)-7-{(1R,2R,3R,5S)-2-[(1E)-3,3-difluoro-4-phenoxybut-1-en-1-yl]-3,5-dihydroxycyclopentyl}hept-5-enoate |
|
| Definitions |
A prostaglandin Falpha that is prostaglandin F2alpha in which the carboxylic acid function has been converted to the corresponding isopropyl ester and the 3-hydroxy-1-octenyl side-chain is substituted by 3,3-difluoro-4-phenoxybut-1-enyl. Used for treatment of elevated intraocular pressure in patients with open-angle glaucoma or ocular hypertension. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_66899 |
|
| charge |
0
|
|
| database_cross_reference |
CAS:209860-87-7 KEGG:D06274 PMID:22654492 PMID:22583577 PMID:22310086 PMID:22690824 PMID:22399693 PMID:22669351 PMID:22499235 PMID:22107041 PMID:22606063 Wikipedia:Tafluprost PMID:22049909 PMID:21491995 Reaxys:9668502 PMID:21423041 PMID:22275814 Drug_Central:4229 PMID:22695966 Patent:EP1825855
|
|
| definition |
A prostaglandin Falpha that is prostaglandin F2alpha in which the carboxylic acid function has been converted to the corresponding isopropyl ester and the 3-hydroxy-1-octenyl side-chain is substituted by 3,3-difluoro-4-phenoxybut-1-enyl. Used for treatment of elevated intraocular pressure in patients with open-angle glaucoma or ocular hypertension.
|
|
| formula |
C25H34F2O5
|
|
| has functional parent | ||
| has role | ||
| has_exact_synonym |
isopropyl (5Z)-7-{(1R,2R,3R,5S)-2-[(1E)-3,3-difluoro-4-phenoxybut-1-en-1-yl]-3,5-dihydroxycyclopentyl}hept-5-enoate
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
tafluprost Zioptan
|
|
| id |
CHEBI:66899
|
|
| in_subset | ||
| inchi |
InChI=1S/C25H34F2O5/c1-18(2)32-24(30)13-9-4-3-8-12-20-21(23(29)16-22(20)28)14-15-25(26,27)17-31-19-10-6-5-7-11-19/h3,5-8,10-11,14-15,18,20-23,28-29H,4,9,12-13,16-17H2,1-2H3/b8-3-,15-14+/t20-,21-,22+,23-/m1/s1
|
|
| inchikey |
WSNODXPBBALQOF-VEJSHDCNSA-N
|
|
| label |
tafluprost
|
|
| mass |
452.53130
|
|
| monoisotopicmass |
452.23743
|
|
| notation |
CHEBI:66899
|
|
| prefLabel |
tafluprost
|
|
| smiles |
CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\C(F)(F)COc1ccccc1
|
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_37143 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_37143 |
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