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Unoprostone isopropyl

CAT: 0931-T20644-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T20644-01Size:1 mg
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CAS Number
120373-24-2
Target
Others, Potassium Channel
Related Pathways
Membrane transporter/Ion channel, Others
Bioactivity
Unoprostone isopropyl, a prostanoid and synthetic docosanoid, is approved for the treatment of ocular hypertension and open-angle glaucoma.
Smiles
C(CC(CCCCCCC)=O)[C@@H]1[C@@H](C/C=C\CCCC(OC(C)C)=O)[C@@H](O)C[C@H]1O
Molecular Formula
C25H44O5
Molecular Weight
424.61
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Isopropyl Unoprostone

Isopropyl unoprostone is the isopropyl ester of unoprostone. It has a role as an antihypertensive agent, an antiglaucoma drug and a prodrug. It is a ketone, an isopropyl ester and a prostaglandins Falpha. It is functionally related to an unoprostone.

CAS Number120373-24-2
PubChem CID5282175
IUPAC Namepropan-2-yl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enoate
Molecular FormulaC25H44O5
Molecular Weight424.6
XLogP4.9
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count17
Heavy Atom Count30
Formal Charge0
Complexity514
SMILES
CCCCCCCC(=O)CC[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)OC(C)C)O)O
InChI
InChI=1S/C25H44O5/c1-4-5-6-7-10-13-20(26)16-17-22-21(23(27)18-24(22)28)14-11-8-9-12-15-25(29)30-19(2)3/h8,11,19,21-24,27-28H,4-7,9-10,12-18H2,1-3H3/b11-8-/t21-,22-,23+,24-/m1/s1
InChIKey
XXUPXHKCPIKWLR-JHUOEJJVSA-N
Chemical Structure
2D Structure
2D structure of Isopropyl Unoprostone
CAS: 120373-24-2
CID: 5282175
Formula: C25H44O5
MW: 424.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight424.6
XLogP34.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count17
Exact Mass424.31887450
Monoisotopic Mass424.31887450
Topological Polar Surface Area83.8 Ų
Heavy Atom Count30
Formal Charge0
Complexity514
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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