Imidapril hydrochloride

C₂₀H₂₈ClN₃O₆CAS 89396-94-1441.91 g/mol

Open in Covalent MOL file

Amide Carboxylic acid Ester Secondary amine Urea

Properties

Molecular formula: C₂₀H₂₈ClN₃O₆
Molar mass: 441.91 g/mol
Exact mass: 441.1667 Da
Melting point: 214–216 °C (decomposes)
logP: 1.30Crippen estimate
Polar surface area: 116.3 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 9
Stereocentres: S, S, Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation97.8% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation95.7% of notifiers
H361 Suspected of damaging fertility or the unborn child97.8% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

89396-94-1

SMILES

CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1C(=O)N(C)C[C@H]1C(=O)O.Cl

InChIKey

LSLQGMMMRMDXHN-GEUPQXMHSA-N

InChI

InChI=1S/C20H27N3O6.ClH/c1-4-29-19(27)15(11-10-14-8-6-5-7-9-14)21-13(2)17(24)23-16(18(25)26)12-22(3)20(23)28;/h5-9,13,15-16,21H,4,10-12H2,1-3H3,(H,25,26);1H/t13-,15-,16-;/m0./s1

Weigh it out

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

Names and synonyms

7 names

4-Imidazolidinecarboxylic acid, 3-[(2S)-2-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]-1-methyl-2-oxo-, hydrochloride (1:1), (4S)-
4-Imidazolidinecarboxylic acid, 3-[2-[[1-(ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]-1-methyl-2-oxo-, monohydrochloride, [4S-[3[R*(R*)],4R*]]-
4-Imidazolidinecarboxylic acid, 3-[(2S)-2-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]-1-methyl-2-oxo-, monohydrochloride, (4S)-
TA 6366
Tanapril
Novaloc
Tanatril

Work with Imidapril hydrochloride

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.

Imidapril89371-37-9Free base

Similar compounds

Quinapril hydrochloride82586-55-867 % similar Enalapril75847-73-365 % similar N-[1(S)-Ethoxycarbonyl-3-phenylpropyl]-L-alanine82717-96-263 % similar Quinapril85441-61-863 % similar Ramipril87333-19-562 % similar Trandolapril87679-37-662 % similar Moexipril hydrochloride82586-52-562 % similar Enalapril maleate76095-16-459 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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