Products for Research Use Only

AC-7954

CAT: 0013-GTR19198316-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198316-03Size:100 mg
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Description
AC-7954 is a potent and selective agonist for the urotensin II receptor (UT) . It is a valuable research tool for investigating the UT system's role in cardiovascular and renal functions, applicable in both in vitro binding assays and in vivo physiological studies.
CAS Number
734528-95-1
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Smiles
C (CN (C) C) C1 (CC=2C (C (=O) O1) =CC=CC2) C3=CC=C (Cl) C=C3
Molecular Formula
C19H20ClNO2
Molecular Weight
329.82
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

AC-7954

3-(4-chlorophenyl)-3-[2-(dimethylamino)ethyl]-3,4-dihydro-1H-2-benzopyran-1-one is a 2-benzopyran.

CAS Number734528-95-1
PubChem CID9797568
IUPAC Name3-(4-chlorophenyl)-3-[2-(dimethylamino)ethyl]-4H-isochromen-1-one
Molecular FormulaC19H20ClNO2
Molecular Weight329.8
XLogP4.2
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity420
SMILES
CN(C)CCC1(CC2=CC=CC=C2C(=O)O1)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H20ClNO2/c1-21(2)12-11-19(15-7-9-16(20)10-8-15)13-14-5-3-4-6-17(14)18(22)23-19/h3-10H,11-13H2,1-2H3
InChIKey
HIVBATDUVFEJFZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of AC-7954
CAS: 734528-95-1
CID: 9797568
Formula: C19H20ClNO2
MW: 329.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight329.8
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass329.1182566
Monoisotopic Mass329.1182566
Topological Polar Surface Area29.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity420
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes