chempirical

Tritylolmesartan medoxomil

C48H44N6O6CAS 144690-92-6800.92 g/mol

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AlcoholEster

Properties

Molecular formula
C48H44N6O6
Molar mass
800.92 g/mol
Exact mass
800.3322 Da
Melting point
103–104 °C
logP
8.48Crippen estimate
Polar surface area
151.3 Ų
H-bond donors / acceptors
1 / 10
Rotatable bonds
14

Identifiers

CAS number
144690-92-6
SMILES
CCCc1nc(C(C)(C)O)c(C(=O)OCc2oc(=O)oc2C)n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIKey
IJOPLMOXIPGJIJ-UHFFFAOYSA-N
InChI
InChI=1S/C48H44N6O6/c1-5-17-41-49-43(47(3,4)57)42(45(55)58-31-40-32(2)59-46(56)60-40)53(41)30-33-26-28-34(29-27-33)38-24-15-16-25-39(38)44-50-51-52-54(44)48(35-18-9-6-10-19-35,36-20-11-7-12-21-36)37-22-13-8-14-23-37/h6-16,18-29,57H,5,17,30-31H2,1-4H3

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Names and synonyms

2 names
  • 1H-Imidazole-5-carboxylic acid, 4-(1-hydroxy-1-methylethyl)-2-propyl-1-[[2′-[1-(triphenylmethyl)-1H-tetrazol-5-yl][1,1′-biphenyl]-4-yl]methyl]-, (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl ester
  • 1,3-Dioxole, 1H-imidazole-5-carboxylic acid deriv.

Work with Tritylolmesartan medoxomil

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

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-carboxylate144690-33-576 % similar Olmesartan medoxomil144689-63-472 % 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-carboxylate879562-26-255 % similar Olmesartan dimer ester impurity1040250-19-846 % similar Olmesartan144689-24-745 % similar Azilsartan medoxomil863031-21-441 % similar Azilsartan kamedoxomil863031-24-740 % similar 2-Butyl-3-[[2′-[1-(triphenylmethyl)-1H-tetrazol-5-yl][1,1′-biphenyl]-4-yl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one138402-10-538 % similar

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

Elsewhere

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