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BRL 55834

CAT: 0013-GTR19197989-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197989-01Size:25 mg
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Description
BRL 55834 is a potassium channel opener that induces relaxation of airway and vascular smooth muscle in vivo. It is utilized in respiratory and cardiovascular research to study KATP channel function in models of hypertension, asthma, and bronchoconstriction.
CAS Number
131899-25-7
Field of Research
Pharmacology & Drug Discovery
Smiles
O[C@H]1[C@@H] (C=2C (OC1 (C) C) =CC=C (C (C (F) (F) F) (F) F) C2) N3C (=O) CCCC3
Molecular Formula
C18H20F5NO3
Molecular Weight
393.35
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Brl 55834

potassium channel activator

CAS Number131899-25-7
PubChem CID131442
IUPAC Name1-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(1,1,2,2,2-pentafluoroethyl)-3,4-dihydrochromen-4-yl]piperidin-2-one
Molecular FormulaC18H20F5NO3
Molecular Weight393.3
XLogP3
Topological Polar Surface Area49.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count27
Formal Charge0
Complexity580
SMILES
CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)C(C(F)(F)F)(F)F)N3CCCCC3=O)O)C
InChI
InChI=1S/C18H20F5NO3/c1-16(2)15(26)14(24-8-4-3-5-13(24)25)11-9-10(6-7-12(11)27-16)17(19,20)18(21,22)23/h6-7,9,14-15,26H,3-5,8H2,1-2H3/t14-,15+/m1/s1
InChIKey
ZSUFQZNGDIXQAD-CABCVRRESA-N
Chemical Structure
2D Structure
2D structure of Brl 55834
CAS: 131899-25-7
CID: 131442
Formula: C18H20F5NO3
MW: 393.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight393.3
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass393.13633431
Monoisotopic Mass393.13633431
Topological Polar Surface Area49.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity580
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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