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Alprostadil (sodium)

CAT: 0804-HY-B0131ASize: 1 EachDry Ice: NoHazardous: No
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Description
Alprostadil sodium is a prostaglandin receptor ligand that exhibits Ki values of 36, 10, 1.1, 2.1, and 33 nM for the EP1, EP2, EP3, EP4, and IP receptors in mice, respectively. It promotes vasodilation and inhibits platelet aggregation, making it a useful vasodilator for investigating peripheral vascular disease.
CAS Number
27930-45-6
UNSPSC
12352211
Target
Prostaglandin Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein
Applications
Neuroscience-Neuromodulation
Field of Research
Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/alprostadil-sodium.html
Smiles
O=C(O[Na])CCCCCC[C@@H]1[C@H]([C@@H](CC1=O)O)/C=C/[C@@H](O)CCCCC
Molecular Formula
C20H33NaO5
Molecular Weight
376.46
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
Phase 4

Chemical Information

Prostaglandin E1 sodium
CAS Number27930-45-6
PubChem CID91618034
IUPAC Namesodium 7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanoate
Molecular FormulaC20H33NaO5
Molecular Weight376.5
Topological Polar Surface Area97.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count13
Heavy Atom Count26
Formal Charge0
Complexity438
SMILES
CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)[O-])O)O.[Na+]
InChI
InChI=1S/C20H34O5.Na/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25;/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25);/q;+1/p-1/b13-12+;/t15-,16+,17+,19+;/m0./s1
InChIKey
BMHCMWOSEOFUFU-HZTJSMSYSA-M
Chemical Structure
2D Structure
2D structure of Prostaglandin E1 sodium
CAS: 27930-45-6
CID: 91618034
Formula: C20H33NaO5
MW: 376.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight376.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count13
Exact Mass376.22256843
Monoisotopic Mass376.22256843
Topological Polar Surface Area97.7 Ų
Heavy Atom Count26
Formal Charge0
Complexity438
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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