Perindopril L-arginine

C₂₅H₄₆N₆O₇CAS 612548-45-5542.68 g/mol

Open in Covalent MOL file

Amide Carboxylic acid Ester Guanidine Primary amine Secondary amine

Properties

Molecular formula: C₂₅H₄₆N₆O₇
Molar mass: 542.68 g/mol
Exact mass: 542.3428 Da
logP: 0.60Crippen estimate
Polar surface area: 221.2 Å²
H-bond donors / acceptors: 7 / 8
Rotatable bonds: 13
Stereocentres: S, S, S, S, S, Sin SMILES atom order

Hazards

Danger

H319 Causes serious eye irritation50% of notifiers
H360 May damage fertility or the unborn child50% of notifiers
H361d Suspected of damaging the unborn child25% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P264+P265, P280, P305+P351+P338, P318, P337+P317, P405, P501

Identifiers

CAS number

612548-45-5

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.N=C(N)NCCC[C@H](N)C(=O)O

InChIKey

RYCSJJXKEWBUTI-YDYAIEMNSA-N

InChI

InChI=1S/C19H32N2O5.C6H14N4O2/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;7-4(5(11)12)2-1-3-10-6(8)9/h12-16,20H,4-11H2,1-3H3,(H,23,24);4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t12-,13-,14-,15-,16-;4-/m00/s1

Weigh it out

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

Names and synonyms

3 names

L-Arginine, (2S,3aS,7aS)-1-[(2S)-2-[[(1S)-1-(ethoxycarbonyl)butyl]amino]-1-oxopropyl]octahydro-1H-indole-2-carboxylate (1:1)
L-Arginine, mono[(2S,3aS,7aS)-1-[(2S)-2-[[(1S)-1-(ethoxycarbonyl)butyl]amino]-1-oxopropyl]octahydro-1H-indole-2-carboxylate]
Perindopril arginine

Work with Perindopril L-arginine

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.

Arginine74-79-3Parent compound (±)-Arginine7200-25-1Parent compound, stereo not defined D-Arginine157-06-2Parent compound, enantiomer Perindopril82834-16-0Parent compound L-Arginine L-pyroglutamate56265-06-6Salt Perindopril erbumine107133-36-8Salt Arginine glutamate4320-30-3Salt L-(+)-Arginine monohydrochloride1119-34-2Salt Aspirin arginine salt37466-21-0Salt D-Arginine hydrochloride627-75-8Salt, enantiomer Arginine aspartate7675-83-4Salt Diarginine α-ketoglutarate5256-76-8Salt

Similar compounds

Trandolapril87679-37-660 % similar Perindoprilat95153-31-459 % similar Ramipril87333-19-558 % similar (2S)-2-[[(2S)-1-Ethoxy-1-oxopentan-2-yl]amino]propanoic acid82834-12-645 % similar Arginine ethyl ester dihydrochloride36589-29-445 % similar Ramiprilat87269-97-444 % similar Homoarginine156-86-543 % similar Enalapril75847-73-342 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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