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404830-45-1

404830-45-1 Structure

404830-45-1 Structure
IdentificationBack Directory
[Name]

15-Keto Travoprost
[CAS]

404830-45-1
[Synonyms]

15-KETO TRAVOPROST
15-keton-Travoprost
Travoprost Impurity 30
15-KETO FLUPROSTENOL ISOPROPYL ESTER
Travoprost Impurity 15-keto-travoprost
Travoprost Impurity 3(15-Keto Travoprost)
propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoate
(Z)-isopropyl 7-((1R,2R,3R,5S)-3,5-dihydroxy-2-((E)-3-oxo-4-(3-(trifluoromethyl)phenoxy)but-1-en-1-yl)cyclopentyl)hept-5-enoate
15-OXO-9ALPHA,11ALPHA-DIHYDROXY-16-(3-(TRIFLUOROMETHYL)PHENOXY)-17,18,19,20-TETRANOR-PROSTA-5Z,13E-DIEN-1-OIC ACID, ISOPROPYL ESTER
(5Z)-7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(1E)-3-oxo-4-[3-(trifluoroMethyl)phenoxy]-1-butenyl]cyclopentyl]-5-heptenoic Acid 1-Methylethyl Ester
(5Z)-7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(1E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]cyclopentyl]-5-heptenoic acid 1-methylethyl ester
5-Heptenoic acid, 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E)-3-oxo-4-[3-(trifluoroMethyl)phe noxy]-1-butenyl]cyclopentyl]-, 1-Methylethyl ester, (5Z)-
5-Heptenoic acid, 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]cyclopentyl]-, 1-methylethyl ester, (5Z)-
15-Keto Travoprost/(5Z)-7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(1E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]cyclopentyl]-5-heptenoic acid 1-methylethyl ester
[Molecular Formula]

C26H33F3O6
[MDL Number]

MFCD02259342
[MOL File]

404830-45-1.mol
[Molecular Weight]

498.53
Chemical PropertiesBack Directory
[Boiling point ]

577.5±50.0 °C(Predicted)
[density ]

1.242±0.06 g/cm3(Predicted)
[storage temp. ]

Amber Vial, -20°C Freezer, Under inert atmosphere
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Oil
[pka]

14.38±0.70(Predicted)
[color ]

Yellow to Brown to Thick
[Stability:]

Light Sensitive
[Cosmetics Ingredients Functions]

HAIR CONDITIONING
[InChIKey]

KSDDYCRRTVADFZ-OHDKTVHDSA-N
[SMILES]

C(OC(C)C)(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/C(=O)COC1=CC=CC(C(F)(F)F)=C1
Safety DataBack Directory
[Symbol(GHS) ]

GHS hazard pictograms
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P264-P270-P301+P312-P330-P501
Hazard InformationBack Directory
[Uses]

15-Keto Travoprost is an impurity of the selective FP prostaglandin receptor agonist Travoprost (T715600) used as an ocularly applied intraocular pressure reducing agent.
[Definition]

ChEBI: 15-keto Fluprostenol isopropyl ester is a prostanoid.
[General Description]

15-Keto Travoprost (15-Keto Fluprostenol isopropyl ester) is a metabolite of Travoprost. It is obtained by oxidation at carbon 15 without hydrolysis of the isopropyl ester. 15-Keto Travoprost has a 15-keto functional group, which generally reduces the binding affinity to the FP receptor, but still retains enough affinity to show a sustained weak hypotony response. It has a stimulatory effect on the growth and thickening of eyelashes.
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