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EXP3892

CAT: 0013-GTR19208243-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208243-03Size:100 mg
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Description
EXP3892 is a selective angiotensin II receptor antagonist used in research to study the renin-angiotensin system. It is applied in both in vitro binding assays and in vivo models for cardiovascular and renal pathophysiology investigations.
CAS Number
124750-93-2
Smiles
C (N1C (C (O) =O) =C (C (F) (F) F) N=C1CCC) C2=CC=C (C=C2) C3=C (C=CC=C3) C=4NN=NN4
Molecular Formula
C22H19F3N6O2
Molecular Weight
456.42
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Propyl-1-((2'-(2H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-4-(trifluoromethyl)-1H-imidazole-5-carboxylic acid

to search, use E#P3892(nm); angiotensin II receptor antagonist; structure given in first source

CAS Number124750-93-2
PubChem CID130244
IUPAC Name2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5-(trifluoromethyl)imidazole-4-carboxylic acid
Molecular FormulaC22H19F3N6O2
Molecular Weight456.4
XLogP4.4
Topological Polar Surface Area110
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity661
SMILES
CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)O)C(F)(F)F
InChI
InChI=1S/C22H19F3N6O2/c1-2-5-17-26-19(22(23,24)25)18(21(32)33)31(17)12-13-8-10-14(11-9-13)15-6-3-4-7-16(15)20-27-29-30-28-20/h3-4,6-11H,2,5,12H2,1H3,(H,32,33)(H,27,28,29,30)
InChIKey
VDRAEBDTPFEPFP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Propyl-1-((2'-(2H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-4-(trifluoromethyl)-1H-imidazole-5-carboxylic acid
CAS: 124750-93-2
CID: 130244
Formula: C22H19F3N6O2
MW: 456.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight456.4
XLogP34.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass456.15215836
Monoisotopic Mass456.15215836
Topological Polar Surface Area110 Ų
Heavy Atom Count33
Formal Charge0
Complexity661
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T71139-01EXP3892

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