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Home > Other Heterocycles > 89617-02-7
89617-02-7 | 5-Heptenoic acid,7-[(1S,2R,3R,5S)-3-[(1E,3S)-3-hydroxy-1-octen-1-yl]-6-thiabicyclo[3.1.1]hept-2-yl]-,(5Z)-
CAS No: 89617-02-7 Catalog No: AG003WQ7 MDL No:
Product Description
Catalog Number:
AG003WQ7
Chemical Name:
5-Heptenoic acid,7-[(1S,2R,3R,5S)-3-[(1E,3S)-3-hydroxy-1-octen-1-yl]-6-thiabicyclo[3.1.1]hept-2-yl]-,(5Z)-
CAS Number:
89617-02-7
Molecular Formula:
C21H34O3S
Molecular Weight:
366.5579
IUPAC Name:
(Z)-7-[(1S,2R,5S)-3-[(E,3S)-3-hydroxyoct-1-enyl]-6-thiabicyclo[3.1.1]heptan-2-yl]hept-5-enoic acid
InChI:
InChI=1S/C21H34O3S/c1-2-3-6-9-17(22)13-12-16-14-18-15-20(25-18)19(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-/m0/s1
InChI Key:
OVGWMUWIRHGGJP-YUOWJYRGSA-N
SMILES:
CCCCC[C@@H](/C=C/C1C[C@H]2C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)S2)O
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
2
Exact Mass:
366.223g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
366.56g/mol
Monoisotopic Mass:
366.223g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
82.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
Literature
| Title | Journal |
|---|---|
| Arachidonic acid epoxygenase and 12(S)-lipoxygenase: evidence of their concerted involvement in ductus arteriosus constriction to oxygen. | Canadian journal of physiology and pharmacology 20110501 |
| Behavioral abnormalities of fetal growth retardation model rats with reduced amounts of brain proteoglycans. | Experimental neurology 20090901 |
| An animal model of intrauterine growth retardation induced by synthetic thromboxane a(2). | Journal of the Society for Gynecologic Investigation 20061201 |
| Endothelin-induced constriction of the ductus venosus in fetal sheep: developmental aspects and possible interaction with vasodilatory prostaglandin. | British journal of pharmacology 20040601 |
| Effects of STA(2), a thromboxane A(2) mimetic, in inducing airflow obstruction and airway microvascular leakage in guinea pigs. | Pharmacology 20020501 |
| Involvement of thromboxane A(2) in airway mucous cells in asthma-related cough. | Journal of applied physiology (Bethesda, Md. : 1985) 20020201 |
| Pathogenetic analysis of three cases with a bleeding disorder characterized by defective platelet aggregation induced by Ca2+ ionophores. | British journal of haematology 20010301 |
| Differential effect of pH on thromboxane A2/prostaglandin H2 receptor agonist and antagonist binding in human platelets. | The Journal of biological chemistry 19910725 |
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