Perindopril

C₁₉H₃₂N₂O₅CAS 82834-16-0368.47 g/mol

Open in Covalent MOL file

Amide Carboxylic acid Ester Secondary amine

Properties

Molecular formula: C₁₉H₃₂N₂O₅
Molar mass: 368.47 g/mol
Exact mass: 368.2311 Da
logP: 1.94Crippen estimate
Polar surface area: 95.9 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 8
Stereocentres: S, S, S, S, Sin SMILES atom order

Hazards

Danger

H319 Causes serious eye irritation100% of notifiers
H336 May cause drowsiness or dizziness100% of notifiers
H360 May damage fertility or the unborn child100% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure100% of notifiers

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

Precautionary statements

P203, P260, P261, P264+P265, P271, P280, P304+P340, P305+P351+P338, P318, P319, P337+P317, P403+P233, P405, P501

Identifiers

CAS number

82834-16-0

SMILES

CCC[C@H](N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21)C(=O)OCC

InChIKey

IPVQLZZIHOAWMC-QXKUPLGCSA-N

InChI

InChI=1S/C19H32N2O5/c1-4-8-14(19(25)26-5-2)20-12(3)17(22)21-15-10-7-6-9-13(15)11-16(21)18(23)24/h12-16,20H,4-11H2,1-3H3,(H,23,24)/t12-,13-,14-,15-,16-/m0/s1

Weigh it out

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

Names and synonyms

6 names

1H-Indole-2-carboxylic acid, 1-[(2S)-2-[[(1S)-1-(ethoxycarbonyl)butyl]amino]-1-oxopropyl]octahydro-, (2S,3aS,7aS)-
1H-Indole-2-carboxylic acid, 1-[2-[[1-(ethoxycarbonyl)butyl]amino]-1-oxopropyl]octahydro-, [2S-[1[R*(R*)],2α,3aβ,7aβ]]-
(2S,3aS,7aS)-1-[(2S)-2-[[(1S)-1-(Ethoxycarbonyl)butyl]amino]-1-oxopropyl]octahydro-1H-indole-2-carboxylic acid
S 9490
McN-A 2833
Adwepril

Work with Perindopril

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.

Perindopril erbumine107133-36-8Salt Perindopril L-arginine612548-45-5Salt

Similar compounds

Perindoprilat95153-31-479 % similar Trandolapril87679-37-678 % similar Ramipril87333-19-575 % similar (2S)-2-[[(2S)-1-Ethoxy-1-oxopentan-2-yl]amino]propanoic acid82834-12-661 % similar Ramiprilat87269-97-457 % similar Enalapril75847-73-353 % similar Quinapril85441-61-849 % similar Enalapril maleate76095-16-448 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook