chempirical

Telmisartan sodium

C33H29N4NaO2CAS 515815-47-1536.61 g/mol

Open in Covalent MOL file
NNOO−NNNa+
Carboxylic acid

Properties

Molecular formula
C33H29N4NaO2
Molar mass
536.61 g/mol
Exact mass
536.2188 Da
logP
2.93Crippen estimate
Polar surface area
75.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
7

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
515815-47-1
SMILES
CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)[O-])C=C(C=C2C)C5=NC6=CC=CC=C6N5C.[Na+]
InChIKey
RSGAIWOEJXRYRV-UHFFFAOYSA-M
InChI
InChI=1S/C33H30N4O2.Na/c1-4-9-30-35-31-21(2)18-24(32-34-27-12-7-8-13-28(27)36(32)3)19-29(31)37(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)33(38)39;/h5-8,10-19H,4,9,20H2,1-3H3,(H,38,39);/q;+1/p-1

Weigh it out

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Work with Telmisartan sodium

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Telmisartan144701-48-4Free acid

Similar compounds

Methyl 4′-[[2-propyl-4-methyl-6-(1-methylbenzimidazol-2-yl)benzimidazol-1-yl]methyl]biphenyl-2-carboxylate528560-93-276 % similar 4-Methyl-6-(1-methyl-1H-benzimidazol-2-yl)-2-propyl-1H-benzimidazole152628-02-944 % similar Ethyl 4-(2-hydroxypropan-2-yl)-2-propyl-1-((2'-(1-trityl-1H-tetrazol-5-yl)biphenyl-4-yl)methyl)-1H-imidazole-5-carboxylate144690-33-533 % similar Olmesartan lactone impurity849206-43-533 % similar Olmesartan144689-24-732 % similar 2-(2-Butyl-4-methyl-6-oxo-1-((2'-(1-trityl-1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-1,6-dihydropyrimidin-5-yl)-N,N-dimethylacetamide503155-67-731 % similar Tritylolmesartan medoxomil144690-92-631 % similar

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

Elsewhere

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