chempirical

Olmesartan dimer ester impurity

C48H50N12O5CAS 1040250-19-8875.01 g/mol

Open in Covalent MOL file
NNNHNNNOOHOONNNHNNNOH
AlcoholCarboxylic acidEster

Properties

Molecular formula
C48H50N12O5
Molar mass
875.01 g/mol
Exact mass
874.4027 Da
logP
7.79Crippen estimate
Polar surface area
228.4 Ų
H-bond donors / acceptors
4 / 12
Rotatable bonds
17

Identifiers

CAS number
1040250-19-8
SMILES
CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)O)C(C)(C)OC(=O)C5=C(N=C(N5CC6=CC=C(C=C6)C7=CC=CC=C7C8=NNN=N8)CCC)C(C)(C)O
InChIKey
QTZDCAYLDWDQKW-UHFFFAOYSA-N
InChI
InChI=1S/C48H50N12O5/c1-7-13-37-49-41(47(3,4)64)40(60(37)28-30-21-25-32(26-22-30)34-16-10-12-18-36(34)44-53-57-58-54-44)46(63)65-48(5,6)42-39(45(61)62)59(38(50-42)14-8-2)27-29-19-23-31(24-20-29)33-15-9-11-17-35(33)43-51-55-56-52-43/h9-12,15-26,64H,7-8,13-14,27-28H2,1-6H3,(H,61,62)(H,51,52,55,56)(H,53,54,57,58)

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Names and synonyms

1 names
  • Olmesartan dimer ester

Work with Olmesartan dimer ester impurity

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Olmesartan144689-24-785 % similar Olmesartan medoxomil144689-63-466 % similar Losartan carboxylic acid124750-92-160 % similar Ethyl 4-(1-hydroxy-1-methylethyl)-2-propyl-1-[[2′-[1-(triphenylmethyl)-1H-tetrazol-5-yl][1,1′-biphenyl]-4-yl]methyl]-1H-imidazole-5-carboxylate144690-33-552 % similar (5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl 4-(1-methylethenyl)-2-propyl-1-[[2′-(2H-tetrazol-5-yl)[1,1′-biphenyl]-4-yl]methyl]-1H-imidazole-5-carboxylate879562-26-249 % similar Candesartan139481-59-747 % similar Tritylolmesartan medoxomil144690-92-646 % similar Losartan114798-26-445 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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