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11-deoxy-PGF2a

CAT: 0013-GTR19198475-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198475-01Size:1 mg
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Description
This small molecule is a thromboxane A2 receptor (TP) agonist. It is used in research to study smooth muscle contraction in models such as aorta, vena cava, and trachea, and has been investigated in developmental studies involving Lpar3-deficient embryos.
CAS Number
37786-06-4
Field of Research
Pharmacology & Drug Discovery, Protein Biochemistry
Smiles
C (/C=C\CCCC (O) =O) [C@@H]1[C@@H] (/C=C/[C@H] (CCCCC) O) CC[C@@H]1O
Molecular Formula
C20H34O4
Molecular Weight
338.48
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

11-Deoxy-pgf2alpha

11-Deoxy-PGF2alpha is a prostanoid.

CAS Number37786-06-4
PubChem CID5283079
IUPAC Name(Z)-7-[(1R,2S,5R)-2-hydroxy-5-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
Molecular FormulaC20H34O4
Molecular Weight338.5
XLogP3.7
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Heavy Atom Count24
Formal Charge0
Complexity402
SMILES
CCCCC[C@@H](/C=C/[C@H]1CC[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O
InChI
InChI=1S/C20H34O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12,14,16-19,21-22H,2-3,5-6,8-11,13,15H2,1H3,(H,23,24)/b7-4-,14-12+/t16-,17-,18+,19-/m0/s1
InChIKey
YRFLKMLJQWGIIZ-APRRXLQMSA-N
Chemical Structure
2D Structure
2D structure of 11-Deoxy-pgf2alpha
CAS: 37786-06-4
CID: 5283079
Formula: C20H34O4
MW: 338.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight338.5
XLogP33.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Exact Mass338.24570956
Monoisotopic Mass338.24570956
Topological Polar Surface Area77.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity402
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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