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Chemical structure of Travoprost

GC37822

Travoprost

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

A PGF2α analog and prodrug form of (+)-fluprostenol

ChemicalCAS157283-68-6MW500.55FormulaC26H35F3O6
CAS number
157283-68-6
Molecular weight
500.55
Formula
C26H35F3O6
Solubility
Ethanol： 60 mg/mL (119·87 mM); DMSO： ≥ 41·67 mg/mL (83·25 mM)
InChIKey
MKPLKVHSHYCHOC-AHTXBMBWSA-N
Catalogue number
GC37822
Brand
GLPBIO
Computed properties PubChem CID 5282226 · 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 5282226), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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