chempirical

Losartan carboxaldehyde

C22H21ClN6OCAS 114798-36-6420.90 g/mol

Open in Covalent MOL file
NNNNHNNOCl
AldehydeAryl halide

Properties

Molecular formula
C22H21ClN6O
Molar mass
420.90 g/mol
Exact mass
420.1465 Da
logP
4.59Crippen estimate
Polar surface area
89.3 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
8

Identifiers

CAS number
114798-36-6
SMILES
CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C=O)Cl
InChIKey
FQZSMTSTFMNWQF-UHFFFAOYSA-N
InChI
InChI=1S/C22H21ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,14H,2-3,8,13H2,1H3,(H,25,26,27,28)

Weigh it out

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

Work with Losartan carboxaldehyde

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

Losartan carboxylic acid124750-92-170 % similar Fimasartan247257-48-354 % similar Losartan potassium124750-99-851 % similar Olmesartan144689-24-751 % similar 2-Butyl-4-chloro-1-[[2′-[2-(triphenylmethyl)-2H-tetrazol-5-yl][1,1′-biphenyl]-4-yl]methyl]-1H-imidazole-5-methanol133909-99-648 % similar Olmesartan dimer ester impurity1040250-19-845 % similar Ethyl 2-ethoxy-1-[[2′-(2H-tetrazol-5-yl)[1,1′-biphenyl]-4-yl]methyl]-1H-benzimidazole-7-carboxylate139481-58-644 % similar Candesartan139481-59-744 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook