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EXP3892

CAT: 0931-T71139-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T71139-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
124750-93-2
Target
Others
Related Pathways
Others
Bioactivity
EXP3892 is an angiotensin II receptor antagonist.
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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
Loading 3D structure...
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
GTR19208243-01EXP3892

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