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Chemical structure of 5-trans Fluprostenol isopropyl ester

GC41590

5-trans Fluprostenol isopropyl ester

Also known as propan-2-yl (E)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoate

Travoprost is the Alcon trade name for fluprostenol isopropyl ester, an F-series prostaglandin analog which has been approved for use as an ocular hypotensive drug

ChemicalCAS1563176-59-9MW500.6FormulaC26H35F3O6
CAS number
1563176-59-9
Molecular weight
500.6
Formula
C26H35F3O6
Solubility
DMF： 30 mg/ml,DMF：PBS (pH 7·2)(1：1)： 500 μ g/ml,DMSO： 20 mg/ml,Ethanol： 25 mg/ml
InChIKey
MKPLKVHSHYCHOC-JPVYXPJZSA-N
Catalogue number
GC41590
Brand
GLPBIO
Computed properties PubChem CID 6916019 · XLogP 4.1 · TPSA 96.2 Ų · H-bond donors 3
XLogP
4.1
TPSA
96.2 Ų
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
13
Heavy atoms
35

SMILES CC(C)OC(=O)CCC/C=C/C[C@H]1[C@H](C[C@H]([C@@H]1/C=C/[C@H](COC2=CC=CC(=C2)C(F)(F)F)O)O)O

Computed descriptors from PubChem (CID 6916019), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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