Candesartan

C₂₄H₂₀N₆O₃CAS 139481-59-7440.46 g/mol

Open in Covalent MOL file

Carboxylic acid Ether

Properties

Molecular formula: C₂₄H₂₀N₆O₃
Molar mass: 440.46 g/mol
Exact mass: 440.1597 Da
Melting point: 183–185 °C
logP: 4.03Crippen estimate
Polar surface area: 118.8 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 7

Hazards

Warning

H302 Harmful if swallowed16.7% of notifiers
H312 Harmful in contact with skin16.7% of notifiers
H315 Causes skin irritation16.7% of notifiers
H319 Causes serious eye irritation16.7% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation16.7% of notifiers
H361 Suspected of damaging fertility or the unborn child50% of notifiers
H361d Suspected of damaging the unborn child16.7% of notifiers
H411 Toxic to aquatic life with long lasting effects16.7% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

139481-59-7

SMILES

CCOc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1

InChIKey

HTQMVQVXFRQIKW-UHFFFAOYSA-N

InChI

InChI=1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H,31,32)(H,26,27,28,29)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

11 names

1H-Benzimidazole-7-carboxylic acid, 2-ethoxy-1-[[2′-(2H-tetrazol-5-yl)[1,1′-biphenyl]-4-yl]methyl]-
1H-Benzimidazole-7-carboxylic acid, 2-ethoxy-1-[[2′-(1H-tetrazol-5-yl)[1,1′-biphenyl]-4-yl]methyl]-
2-Ethoxy-1-[[2′-(2H-tetrazol-5-yl)[1,1′-biphenyl]-4-yl]methyl]-1H-benzimidazole-7-carboxylic acid
CV 11974
Candesartan M1
2-Ethoxy-1-[[2′-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl]-1H-benzimidazole-7-carboxylic acid
2-Ethoxy-1-[[2′-(1H-tetrazol-5-yl)-1,1′-biphenyl-4-yl]methyl]-7-benzimidazolecarboxylic acid
2-Ethoxy-1-[[2′-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl]benzimidazole-7-carboxylic acid
3-[[2′-(1H-Tetrazol-5-yl)biphenyl-4-yl]methyl]-2-ethoxy-3H-benzimidazole-4-carboxylic acid
1-((2′-(1H-Tetrazol-5-yl)-[1,1′-biphenyl]-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylic acid
2-Ethoxy-1-([4-[2-(1H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl)-1H-1,3-benzodiazole-7-carboxylic acid

Work with Candesartan

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 2-ethoxy-1-[[2′-(2H-tetrazol-5-yl)[1,1′-biphenyl]-4-yl]methyl]-1H-benzimidazole-7-carboxylate139481-58-680 % similar Azilsartan147403-03-069 % similar Candesartan cilexetil145040-37-565 % similar Losartan carboxylic acid124750-92-154 % similar Methyl 2-ethoxy-1-[[2′-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl]-1H-benzimidazole-7-carboxylate147403-52-954 % similar Methyl 1-[(2′-cyano[1,1′-biphenyl]-4-yl)methyl]-2-ethoxy-1H-benzimidazole-7-carboxylate139481-44-054 % similar Methyl 2-ethoxy-1-[[2′-(hydroxyamidino)biphenyl-4-yl]methyl]-1H-benzimidazole-7-carboxylate147403-65-453 % similar Olmesartan144689-24-752 % similar

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

Elsewhere

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