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Tafluprost 500mg

CAT: 0628-A17442-500Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0628-A17442-500Size:500 mg
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CAS Number
209860-87-7

Chemical Information

Tafluprost

Tafluprost is a prostaglandin Falpha that is prostaglandin F2alpha in which the carboxylic acid function has been converted to the corresponding isopropyl ester and the 3-hydroxy-1-octenyl side-chain is substituted by 3,3-difluoro-4-phenoxybut-1-enyl. Used for treatment of elevated intraocular pressure in patients with open-angle glaucoma or ocular hypertension. It has a role as a prostaglandin receptor agonist. It is an isopropyl ester, a prostaglandins Falpha and an organofluorine compound. It is functionally related to a prostaglandin F2alpha.

CAS Number209860-87-7
PubChem CID9868491
IUPAC Namepropan-2-yl (Z)-7-[(1R,2R,3R,5S)-2-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoate
Molecular FormulaC25H34F2O5
Molecular Weight452.5
XLogP4.5
Topological Polar Surface Area76
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count13
Heavy Atom Count32
Formal Charge0
Complexity613
SMILES
CC(C)OC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1/C=C/C(COC2=CC=CC=C2)(F)F)O)O
InChI
InChI=1S/C25H34F2O5/c1-18(2)32-24(30)13-9-4-3-8-12-20-21(23(29)16-22(20)28)14-15-25(26,27)17-31-19-10-6-5-7-11-19/h3,5-8,10-11,14-15,18,20-23,28-29H,4,9,12-13,16-17H2,1-2H3/b8-3-,15-14+/t20-,21-,22+,23-/m1/s1
InChIKey
WSNODXPBBALQOF-VEJSHDCNSA-N
Chemical Structure
2D Structure
2D structure of Tafluprost
CAS: 209860-87-7
CID: 9868491
Formula: C25H34F2O5
MW: 452.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight452.5
XLogP34.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count13
Exact Mass452.23743050
Monoisotopic Mass452.23743050
Topological Polar Surface Area76 Ų
Heavy Atom Count32
Formal Charge0
Complexity613
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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