Isopropyl (5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-{(1E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl}cyclopentyl]-5-heptenoate

Basic Information

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CAS Number

157283-68-6

Molecular Formula

C26H35F3O6

Molecular Weight

500.55 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Flash Point

17 °C

Specific Rotation

D20 +14.6° (c = 1.0 in methylene chloride)

SMILES

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CC(C)OC(=O)CCCC=CCC1C(CC(C1C=CC(COC2=CC=CC(=C2)C(F)(F)F)O)O)O

InChI

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

InChIKey

MKPLKVHSHYCHOC-AHTXBMBWSA-N

LogP

4.427400000000004

Topological Polar Surface Area

96.22000000000001 Å²

Hydrogen Bond Donor/Acceptor

3 / 6

Complexity

693

Synonyms & References

English

ISOPROPYL (Z)-7-((1R,2R,3R,5S)-3,5-DIHYDROXY-2-((1E,3R)-3-HYDROXY-4-((.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-M-TOLYL)OXY)-1-BUTENYL)CYCLOPENTYL)-5-HEPTENOATE
Travatan Z
SCHEMBL93818
TRAVOPROST [VANDF]
TRAVOPROST [USP-RS]
Travoprost [USAN]
5-Heptenoic Acid, 7-((1R,2R,3R,5S)-3,5-dihydroxy-2-((1E,3R)-3-hydroxy-4-(3-(trifluoromethyl)phenoxy)-1-butenyl)cyclopentyl)-, 1-methylethyl Ester,(5Z)-
S01EE04
Isopropyl (Z)-7-((1R,2R,3R,5S)-3,5-dihydroxy-2-((3R,E)-3-hydroxy-4-(3-(trifluoromethyl)-phenoxy)-but-1-enyl)-cyclopentyl)-hept-5-enoate
TRAVOPROST [MART.]
Travoprost [USAN:USP:INN:BAN]
SR-01000942266-1
TRAVOPROST [JAN]
(Z)-isopropyl 7-((1R,2R)-3,5-dihydroxy-2-((S,E)-3-hydroxy-4-(3-(trifluoromethyl)phenoxy)but-1-en-1-yl)cyclopentyl)hept-5-enoate
Fluprostenol isopropyl ester;AL6221;Flu-Ipr
TRAVOPROST (USP-RS)
SR-01000942266
propan-2-yl (5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-en-1-yl]cyclopentyl]hept-5-enoate
Travoprost Ophthalmic
AM84515
Otx-tp
AC-6103
CHEMBL1200799
HY-B0584
TRAVOPROST [WHO-DD]
Travoprost (JAN/USP/INN)
Travaprost
(((1R)-(1alpha(Z),2beta(1E,3R*),3alpha,5alpha))-7-(3,5-dihydroxy-2-(3-hydroxy-4-(3-trifluoromethyl)phenoxy)-1-butenyl)cyclopentyl)-5-heptenoic acid, 1-methylethyl ester
DB00287
TRAVOPROST [EMA EPAR]
Izba

MDL Number

MFCD03411995

Customs Code

2918199090

FAQ

What is Isopropyl (5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-{(1E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl}cyclopentyl]-5-heptenoate (CAS: 157283-68-6)?

Isopropyl (5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-{(1E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl}cyclopentyl]-5-heptenoate is a complex organic compound with the CAS number 157283-68-6. It contains multiple hydroxyl groups and a trifluoromethylphenyl group, making it a potential candidate for pharmaceutical applications. The compound is typically a white to off-white solid with a molecular weight of approximately 528.6 g/mol and exhibits specific stereochemistry due to its chiral centers.

What are the main uses of Isopropyl (5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-{(1E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl}cyclopentyl]-5-heptenoate (CAS: 157283-68-6)?

This compound is primarily used in pharmaceutical research, particularly in the development of drugs targeting metabolic disorders. It may also find applications in organic synthesis as a building block. Due to its complex structure, it is of interest in the study of bioactive molecules and is often utilized in medicinal chemistry for its potential biological activities.

Is Isopropyl (5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-{(1E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl}cyclopentyl]-5-heptenoate (CAS: 157283-68-6) safe?

The safety of Isopropyl (5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-{(1E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl}cyclopentyl]-5-heptenoate depends on exposure conditions. As a chemical compound, it should be handled with appropriate personal protective equipment (PPE) such as gloves and goggles. While specific toxicity data may not be widely available, it is generally considered safe when used in controlled laboratory settings and in accordance with safety guidelines for handling organic chemicals.

How should Isopropyl (5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-{(1E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl}cyclopentyl]-5-heptenoate (CAS: 157283-68-6) be stored?

Isopropyl (5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-{(1E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl}cyclopentyl]-5-heptenoate should be stored in a cool, dry, and dark place, away from moisture and light. It is recommended to keep it in a sealed container at a temperature below 25°C. Proper storage helps maintain its chemical stability and prevents degradation.