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Olmesartan Ethyl Ester Trityl Impurity

CAT: 1596-AR-O01229-01Size: 50 UnitsDry Ice: NoHazardous: No
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CAS Number
144690-33-5
Synonyms
Ethyl 4- (2-hydroxypropan-2-yl) -2-propyl-1- ((2'- (1-trityl-1H-tetrazol-5-yl) -[1,1'-biphenyl]-4-yl) methyl) -1H-imidazole-5-carboxylate; 4- (1-hydroxy-1-methylethyl) -2-propyl-1-[[2'-[1- (triphenylmethyl) -1H-tetrazol-5-yl][1,1'-biphenyl]-4-yl]methyl]-1H-Imidazole-5-carboxylic acid ethyl ester; Ethyl 4- (1-hydroxy-1-methylethyl) -2-propyl-1-[4-[2- (trityltetrazol-5-yl) phenyl]phenyl]methylimidazole-5-carboxylate; Tritylolmesartan ethyl ester
Molecular Formula
C45H44N6O3
Molecular Weight
716.89
API Name
Olmesartan

Chemical Information

Ethyl 4-(2-hydroxypropan-2-yl)-2-propyl-1-((2'-(1-trityl-1H-tetrazol-5-yl)biphenyl-4-yl)methyl)-1H-imidazole-5-carboxylate
CAS Number144690-33-5
PubChem CID19036118
IUPAC Nameethyl 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate
Molecular FormulaC45H44N6O3
Molecular Weight716.9
XLogP8.8
Topological Polar Surface Area108
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count14
Heavy Atom Count54
Formal Charge0
Complexity1110
SMILES
CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NN=NN4C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C(=O)OCC)C(C)(C)O
InChI
InChI=1S/C45H44N6O3/c1-5-18-39-46-41(44(3,4)53)40(43(52)54-6-2)50(39)31-32-27-29-33(30-28-32)37-25-16-17-26-38(37)42-47-48-49-51(42)45(34-19-10-7-11-20-34,35-21-12-8-13-22-35)36-23-14-9-15-24-36/h7-17,19-30,53H,5-6,18,31H2,1-4H3
InChIKey
TZQDBKJBKJIHPR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 4-(2-hydroxypropan-2-yl)-2-propyl-1-((2'-(1-trityl-1H-tetrazol-5-yl)biphenyl-4-yl)methyl)-1H-imidazole-5-carboxylate
CAS: 144690-33-5
CID: 19036118
Formula: C45H44N6O3
MW: 716.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight716.9
XLogP38.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count14
Exact Mass716.34748929
Monoisotopic Mass716.34748929
Topological Polar Surface Area108 Ų
Heavy Atom Count54
Formal Charge0
Complexity1110
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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