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U 46619

CAT: 0607-B6890-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0607-B6890-1Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
selective agonist of prostaglandin H2 (PGH2)/thromboxane A2 (TxA2) (TP) receptor
CAS Number
56985-40-1
Product Name Alternative
(E)-7-((1R,4R,5S,6R)-6-((S,Z)-3-hydroxyoct-1-en-1-yl)-2-oxabicyclo[2.2.1]heptan-5-yl)hept-5-enoic acid
Field of Research
GPCR G protein Prostanoid Receptors
Purity
0.98
Form
A solution in methyl acetate, learn about Variance in Solubility
Solubility
≥100 mg/mL in DMSO, ≥100 mg/mL in Ethanol, ≥100 mg/mL in DMF, ≥2 mg/mL in PBS pH 7.2
Smiles
O[C@@H](CCCCC)/C=C\[C@@H]1[C@@H](C/C=C/CCCC(O)=O)[C@H]2C[C@H]1OC2
Molecular Formula
C21H34O4
Molecular Weight
350.5
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

U 46619
CAS Number56985-40-1
PubChem CID5311493
IUPAC Name(Z)-7-[(1R,4S,5S,6R)-6-[(E,3S)-3-hydroxyoct-1-enyl]-2-oxabicyclo[2.2.1]heptan-5-yl]hept-5-enoic acid
Molecular FormulaC21H34O4
Molecular Weight350.5
XLogP3.9
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Heavy Atom Count25
Formal Charge0
Complexity457
SMILES
CCCCC[C@@H](/C=C/[C@H]1[C@H]2C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)CO2)O
InChI
InChI=1S/C21H34O4/c1-2-3-6-9-17(22)12-13-19-18(16-14-20(19)25-15-16)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16-,17+,18+,19-,20-/m1/s1
InChIKey
LQANGKSBLPMBTJ-BRSNVKEHSA-N
Chemical Structure
2D Structure
2D structure of U 46619
CAS: 56985-40-1
CID: 5311493
Formula: C21H34O4
MW: 350.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight350.5
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Exact Mass350.24570956
Monoisotopic Mass350.24570956
Topological Polar Surface Area66.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity457
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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