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Olmesartan Methyl Ester

CAT: 0024-sc-477810Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-477810Size:1 mg
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CAS Number
1347262-29-6

Chemical Information

Olmesartan Methyl Ester
CAS Number1347262-29-6
PubChem CID71465208
IUPAC Namemethyl 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate
Molecular FormulaC25H28N6O3
Molecular Weight460.5
XLogP3.6
Topological Polar Surface Area119
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count34
Formal Charge0
Complexity671
SMILES
CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)OC)C(C)(C)O
InChI
InChI=1S/C25H28N6O3/c1-5-8-20-26-22(25(2,3)33)21(24(32)34-4)31(20)15-16-11-13-17(14-12-16)18-9-6-7-10-19(18)23-27-29-30-28-23/h6-7,9-14,33H,5,8,15H2,1-4H3,(H,27,28,29,30)
InChIKey
XFIYSFZDSWUHEO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Olmesartan Methyl Ester
CAS: 1347262-29-6
CID: 71465208
Formula: C25H28N6O3
MW: 460.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight460.5
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass460.22228878
Monoisotopic Mass460.22228878
Topological Polar Surface Area119 Ų
Heavy Atom Count34
Formal Charge0
Complexity671
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