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202821-81-6 | 1,3,4-Oxadiazol-2(3H)-one, 3-[(5-chloro-2-hydroxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl]-
CAS No: 202821-81-6 Catalog No: AG0028G8 MDL No:MFCD09753285
Product Description
Catalog Number:
AG0028G8
Chemical Name:
1,3,4-Oxadiazol-2(3H)-one, 3-[(5-chloro-2-hydroxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl]-
CAS Number:
202821-81-6
Molecular Formula:
C16H10ClF3N2O3
Molecular Weight:
370.7104
MDL Number:
MFCD09753285
IUPAC Name:
3-[(5-chloro-2-hydroxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one
InChI:
InChI=1S/C16H10ClF3N2O3/c17-12-5-6-13(23)10(7-12)8-22-15(24)25-14(21-22)9-1-3-11(4-2-9)16(18,19)20/h1-7,23H,8H2
InChI Key:
QKOWACXSXTXRKA-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Cn1nc(oc1=O)c1ccc(cc1)C(F)(F)F)O
UNII:
LW7MXS978N
Properties
Complexity:
535
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.033g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
370.712g/mol
Monoisotopic Mass:
370.033g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
Literature
| Title | Journal |
|---|---|
| Vasodilation of retinal arterioles induced by activation of BKCa channels is attenuated in diabetic rats. | European journal of pharmacology 20111101 |
| Role of calcium-activated potassium channels in acetylcholine-induced vasodilation of rat retinal arterioles in vivo. | Naunyn-Schmiedeberg's archives of pharmacology 20110101 |
| BMS-191011, an opener of large-conductance Ca2+-activated potassium channels, dilates rat retinal arterioles in vivo. | Biological & pharmaceutical bulletin 20110101 |
| 3-[(5-Chloro-2-hydroxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl ]-1,3,4-oxadiazol-2(3H)-one, BMS-191011: opener of large-conductance Ca(2+)-activated potassium (maxi-K) channels, identification, solubility, and SAR. | Journal of medicinal chemistry 20070208 |
| Synthesis of water-soluble prodrugs of BMS-191011: a maxi-K channel opener targeted for post-stroke neuroprotection. | Bioorganic & medicinal chemistry letters 20030519 |
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