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travoprost
"The isopropyl ester of prostaglandin F2alpha in which the pentyl group is replaced by a 3-(trifluoromethyl)phenoxymethyl group. A synthetic analogue of prostaglandin F2alpha, ophthalmic solutions of travoprost are used as a topical medication for controlling the progression of open-angle glaucoma and ocular hypertension, by reducing intraocular pressure. It is a pro-drug; the isopropyl ester group is hydrolysed by esterases in the cornea to the biologically active free acid, fluprostenol."


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03. Biological Effects of Specific Chemicals 
03. Biological Effects of Specific Chemicals
 pharmacological uses [CHEBI:52210] (736) 
 agonist [CHEBI:48705] (68) 
 prostaglandin receptor agonist [CHEBI:66900] (3) 
 travoprost [CHEBI:746859] (1)
05. Industrial Uses 
05. Industrial Uses
 pharmaceutical [CHEBI:52217] (1978) 
 drug [CHEBI:23888] (1930) 
 antihypertensive agent [CHEBI:35674] (104) 
 travoprost [CHEBI:746859] (1)
 prodrug [CHEBI:50266] (88) 
 travoprost [CHEBI:746859] (1)
 ophthalmology drug [CHEBI:66981] (30) 
 travoprost [CHEBI:746859] (1)
 antiglaucoma drug [CHEBI:39456] (28) 
 travoprost [CHEBI:746859] (1)
08. Chemical Category 
08. Chemical Category
 main group molecular entity [CHEBI:33579] (25650) 
 p-block molecular entity [CHEBI:33675] (25343) 
 halogen molecular entity [CHEBI:24471] (1475) 
 fluorine molecular entity [CHEBI:24062] (288) 
 organofluorine compound [CHEBI:37143] (275) 
 travoprost [CHEBI:746859] (1)
 halide [CHEBI:37578] (1402) 
 organohalogen compound [CHEBI:36684] (976) 
 organofluorine compound [CHEBI:37143] (275) 
 travoprost [CHEBI:746859] (1)
 chalcogen molecular entity [CHEBI:33304] (15225) 
 oxygen molecular entity [CHEBI:25806] (14414) 
 organooxygen compound [CHEBI:36963] (11352) 
 carbonyl compound [CHEBI:36586] (5928) 
 carboxylic ester [CHEBI:33308] (1495) 
 travoprost [CHEBI:746859] (1)
 organochalcogen compound [CHEBI:36962] (11874) 
 organooxygen compound [CHEBI:36963] (11352) 
 carbonyl compound [CHEBI:36586] (5928) 
 carboxylic ester [CHEBI:33308] (1495) 
 travoprost [CHEBI:746859] (1)
 carbon group molecular entity [CHEBI:33582] (23847) 
 organic molecular entity [CHEBI:50860] (23769) 
 heteroorganic entity [CHEBI:33285] (15197) 
 organohalogen compound [CHEBI:36684] (976) 
 organofluorine compound [CHEBI:37143] (275) 
 travoprost [CHEBI:746859] (1)
 organochalcogen compound [CHEBI:36962] (11874) 
 organooxygen compound [CHEBI:36963] (11352) 
 carbonyl compound [CHEBI:36586] (5928) 
 carboxylic ester [CHEBI:33308] (1495) 
 travoprost [CHEBI:746859] (1)
 ester [CHEBI:35701] (3370) 
 carboxylic ester [CHEBI:33308] (1495) 
 travoprost [CHEBI:746859] (1)
 fatty acid derivative [CHEBI:61697] (144) 
 icosanoid [CHEBI:23899] (138) 
 prostanoid [CHEBI:26347] (63) 
 prostaglandin [CHEBI:26333] (47) 
 prostaglandins F [CHEBI:26340] (20) 
 prostaglandins Falpha [CHEBI:36066] (18) 
 travoprost [CHEBI:746859] (1)
 organic molecule [CHEBI:72695] (11399) 
 organic oxo compound [CHEBI:36587] (5932) 
 carbonyl compound [CHEBI:36586] (5928) 
 carboxylic ester [CHEBI:33308] (1495) 
 travoprost [CHEBI:746859] (1)
 polyatomic entity [CHEBI:36357] (18777) 
 molecule [CHEBI:25367] (11520) 
 organic molecule [CHEBI:72695] (11399) 
 organic oxo compound [CHEBI:36587] (5932) 
 carbonyl compound [CHEBI:36586] (5928) 
 carboxylic ester [CHEBI:33308] (1495) 
 travoprost [CHEBI:746859] (1)
 heteroatomic molecular entity [CHEBI:37577] (13672) 
 halide [CHEBI:37578] (1402) 
 organohalogen compound [CHEBI:36684] (976) 
 organofluorine compound [CHEBI:37143] (275) 
 travoprost [CHEBI:746859] (1)
ChEBI Compound Accession Identifier  [CHEBI:746859]
ChEBI Compound Description  "The isopropyl ester of prostaglandin F2alpha in which the pentyl group is replaced by a 3-(trifluoromethyl)phenoxymethyl group. A synthetic analogue of prostaglandin F2alpha, ophthalmic solutions of travoprost are used as a topical medication for controlling the progression of open-angle glaucoma and ocular hypertension, by reducing intraocular pressure. It is a pro-drug; the isopropyl ester group is hydrolysed by esterases in the cornea to the biologically active free acid, fluprostenol."
ChEBI Compound Identification Number  746859
ChEBI InChI Value  InChI=1S/C26H35F3O6/c1-17(2)35-25(33)11-6-4-3-5-10-21-22(24(32)15-23(21)31)13-12-19(30)16-34-20-9-7-8-18(14-20)26(27,28)29/h3,5,7-9,12-14,17,19,21-24,30-32H,4,6,10-11,15-16H2,1-2H3/b5-3-,13-12+/t19-,21-,22-,23+,24-/m1/s1
ChEBI InChIKey Value  MKPLKVHSHYCHOC-AHTXBMBWSA-N
ChEBI Compound Name  travoprost
ChEBI SMILES Value  CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\[C@@H](O)COc1cccc(c1)C(F)(F)F
ChEBI Substance ID  99367288
ChEBI URL  ChEBI:746859
ChemSpider ID  NS
Ontomatica Chemical Accession Key (OnChAKey)  MKPLKVHSHYCHOC_AHTXBMBWSA_N_000_000000
PubChem Compound ID  5282226