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Chemical structure of 15-Keto travoprost

GC41933

15-Keto travoprost

Also listed as 15-keto Fluprostenol isopropyl ester

15-keto Fluprostenol isopropyl ester (15-Keto Fluprostenol isopropyl ester) is a metabolite of Travoprost

ChemicalCAS404830-45-1MW498.5FormulaC26H33F3O6
CAS number
404830-45-1
Molecular weight
498.5
Formula
C26H33F3O6
Solubility
DMF： 100 mg/ml,DMSO： 100 mg/ml,Ethanol： 100 mg/ml,PBS (pH 7·2)： 16 mg/ml
InChIKey
KSDDYCRRTVADFZ-OHDKTVHDSA-N
Catalogue number
GC41933
Brand
GLPBIO
Computed properties PubChem CID 10207075 · XLogP 4.4 · TPSA 93.1 Ų · H-bond donors 2
XLogP
4.4
TPSA
93.1 Ų
H-bond donors
2
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(=O)COC2=CC=CC(=C2)C(F)(F)F)O)O

Computed descriptors from PubChem (CID 10207075), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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