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A81988

CAT: 0013-GTR19204115-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19204115-02Size:50 mg
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Description
A81988 is a selective angiotensin II type 1 (AT1) receptor antagonist. This small molecule is utilized in cardiovascular research to study the renin-angiotensin system in both cellular assays and animal models of hypertension.
CAS Number
141887-34-5
Field of Research
Metabolism Research
Smiles
C (N (CCC) C1=C (C (O) =O) C=CC=N1) C2=CC=C (C3=C (C=CC=C3) C=4NN=NN4) C=C2
Molecular Formula
C23H22N6O2
Molecular Weight
414.46
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

A 81988

angiotensin II antagonist selective for type 1 receptors

CAS Number141887-34-5
PubChem CID132387
IUPAC Name2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid
Molecular FormulaC23H22N6O2
Molecular Weight414.5
XLogP4.1
Topological Polar Surface Area108
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count31
Formal Charge0
Complexity570
SMILES
CCCN(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)C4=C(C=CC=N4)C(=O)O
InChI
InChI=1S/C23H22N6O2/c1-2-14-29(22-20(23(30)31)8-5-13-24-22)15-16-9-11-17(12-10-16)18-6-3-4-7-19(18)21-25-27-28-26-21/h3-13H,2,14-15H2,1H3,(H,30,31)(H,25,26,27,28)
InChIKey
DLMNZGAILMQDHA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of A 81988
CAS: 141887-34-5
CID: 132387
Formula: C23H22N6O2
MW: 414.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight414.5
XLogP34.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass414.18042397
Monoisotopic Mass414.18042397
Topological Polar Surface Area108 Ų
Heavy Atom Count31
Formal Charge0
Complexity570
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

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