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Exp9270

CAT: 0013-GTR19209303-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209303-02Size:50 mg
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Description
Exp9270 is a selective antagonist of the Angiotensin II receptor, commonly used to investigate the renin-angiotensin system. It is a valuable research tool for in vitro binding assays and in vivo studies exploring hypertension, cardiovascular function, and renal pathophysiology.
CAS Number
114798-32-2
Smiles
C (N1C (/C=C/CC) =NC (Cl) =C1CO) C2=CC=C (C=C2) C3=C (C (O) =O) C=CC=C3
Molecular Formula
C22H21ClN2O3
Molecular Weight
396.87
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-[4-[[2-[(E)-but-1-enyl]-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoic Acid
CAS Number114798-32-2
PubChem CID10046327
IUPAC Name2-[4-[[2-[(E)-but-1-enyl]-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoic acid
Molecular FormulaC22H21ClN2O3
Molecular Weight396.9
XLogP4.3
Topological Polar Surface Area75.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity536
SMILES
CC/C=C/C1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CO)Cl
InChI
InChI=1S/C22H21ClN2O3/c1-2-3-8-20-24-21(23)19(14-26)25(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22(27)28/h3-12,26H,2,13-14H2,1H3,(H,27,28)/b8-3+
InChIKey
LQRYGEQNLPCYDT-FPYGCLRLSA-N
Chemical Structure
2D Structure
2D structure of 2-[4-[[2-[(E)-but-1-enyl]-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoic Acid
CAS: 114798-32-2
CID: 10046327
Formula: C22H21ClN2O3
MW: 396.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight396.9
XLogP34.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass396.1240702
Monoisotopic Mass396.1240702
Topological Polar Surface Area75.4 Ų
Heavy Atom Count28
Formal Charge0
Complexity536
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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