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Dexfadrostat HCl

CAT: 0013-GTR19242289-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19242289-01Size:50 mg
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Description
Dexfadrostat is a potent and selective non-steroidal inhibitor of aldosterone synthase (CYP11B2) . It is a valuable research tool for investigating hypertension, heart failure, and primary aldosteronism in both in vitro enzymatic assays and in vivo animal models.
CAS Number
131863-75-7
Smiles
C (#N) C1=CC=C ([C@@H]2N3C (CCC2) =CN=C3) C=C1.Cl
Molecular Formula
C14H14ClN3
Molecular Weight
259.73
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Dexfadrostat hydrochloride
CAS Number131863-75-7
PubChem CID9838063
IUPAC Name4-[(5R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile;hydrochloride
Molecular FormulaC14H14ClN3
Molecular Weight259.73
Topological Polar Surface Area41.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count18
Formal Charge0
Complexity311
SMILES
C1C[C@@H](N2C=NC=C2C1)C3=CC=C(C=C3)C#N.Cl
InChI
InChI=1S/C14H13N3.ClH/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14;/h4-7,9-10,14H,1-3H2;1H/t14-;/m1./s1
InChIKey
UKCVAQGKEOJTSR-PFEQFJNWSA-N
Chemical Structure
2D Structure
2D structure of Dexfadrostat hydrochloride
CAS: 131863-75-7
CID: 9838063
Formula: C14H14ClN3
MW: 259.73
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight259.73
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass259.0876252
Monoisotopic Mass259.0876252
Topological Polar Surface Area41.6 Ų
Heavy Atom Count18
Formal Charge0
Complexity311
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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