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Tafluprost Ethyl Amide

CAT: 1596-AR-L06666-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-L06666-01Size:10 Units
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CAS Number
1185851-52-8
Synonyms
(Z) -7- ((1R,2R,3R,5S) -2- ((E) -3,3-difluoro-4-phenoxybut-1-en-1-yl) -3,5-dihydroxycyclopentyl) -N-ethylhept-5-enamide
Molecular Formula
C24H33F2NO4
Molecular Weight
437.53
API Name
Latanoprost

Chemical Information

5-Heptenamide, 7-((1R,2R,3R,5S)-2-((1E)-3,3-difluoro-4-phenoxy-1-buten-1-yl)-3,5-dihydroxycyclopentyl)-N-ethyl-, (5Z)-
CAS Number1185851-52-8
PubChem CID71587943
IUPAC Name(Z)-7-[(1R,2R,3R,5S)-2-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]-3,5-dihydroxycyclopentyl]-N-ethylhept-5-enamide
Molecular FormulaC24H33F2NO4
Molecular Weight437.5
XLogP3.5
Topological Polar Surface Area78.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Heavy Atom Count31
Formal Charge0
Complexity590
SMILES
CCNC(=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/C24H33F2NO4/c1-2-27-23(30)13-9-4-3-8-12-19-20(22(29)16-21(19)28)14-15-24(25,26)17-31-18-10-6-5-7-11-18/h3,5-8,10-11,14-15,19-22,28-29H,2,4,9,12-13,16-17H2,1H3,(H,27,30)/b8-3-,15-14+/t19-,20-,21+,22-/m1/s1
InChIKey
VJZKLIPANASSBD-MSHHKXPZSA-N
Chemical Structure
2D Structure
2D structure of 5-Heptenamide, 7-((1R,2R,3R,5S)-2-((1E)-3,3-difluoro-4-phenoxy-1-buten-1-yl)-3,5-dihydroxycyclopentyl)-N-ethyl-, (5Z)-
CAS: 1185851-52-8
CID: 71587943
Formula: C24H33F2NO4
MW: 437.5
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight437.5
XLogP33.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Exact Mass437.23776486
Monoisotopic Mass437.23776486
Topological Polar Surface Area78.8 Ų
Heavy Atom Count31
Formal Charge0
Complexity590
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