chempirical

Perindopril erbumine

C23H43N3O5CAS 107133-36-8441.61 g/mol

Open in Covalent MOL file
NH2NHONOHOOO
AmideCarboxylic acidEsterPrimary amineSecondary amine

Properties

Molecular formula
C23H43N3O5
Molar mass
441.61 g/mol
Exact mass
441.3203 Da
logP
2.68Crippen estimate
Polar surface area
122.0 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
8
Stereocentres
S, S, S, S, Sin SMILES atom order

Identifiers

CAS number
107133-36-8
SMILES
CC(C)(C)N.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
IYNMDWMQHSMDDE-MHXJNQAMSA-N
InChI
InChI=1S/C19H32N2O5.C4H11N/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;1-4(2,3)5/h12-16,20H,4-11H2,1-3H3,(H,23,24);5H2,1-3H3/t12-,13-,14-,15-,16-;/m0./s1

Weigh it out

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

Names and synonyms

19 names · show all
  • 1H-Indole-2-carboxylic acid, 1-[(2S)-2-[[(1S)-1-(ethoxycarbonyl)butyl]amino]-1-oxopropyl]octahydro-, (2S,3aS,7aS)-, compd. with 2-methyl-2-propanamine (1:1)
  • 1H-Indole-2-carboxylic acid, 1-[2-[[1-(ethoxycarbonyl)butyl]amino]-1-oxopropyl]octahydro-, [2S-[1[R*(R*)],2α,3aβ,7aβ]]-, compd. with 2-methyl-2-propanamine (1:1)
  • 2-Propanamine, 2-methyl-, [2S-[1[R*(R*)],2α,3aβ,7aβ]]-1-[2-[[1-(ethoxycarbonyl)butyl]amino]-1-oxopropyl]octahydro-1H-indole-2-carboxylate
  • 2-Propanamine, 2-methyl-, (2S,3aS,7aS)-1-[(2S)-2-[[(1S)-1-(ethoxycarbonyl)butyl]amino]-1-oxopropyl]octahydro-1H-indole-2-carboxylate
  • S 9490-3
  • McN-A 2833-109
  • Perindopril-tert-butylamine
  • Butylaminiperindopril
  • Prestarium
  • Coversyl
  • Coversum
  • Aceon
  • Perinodpril erbimune
  • Procaptan
  • Perindopril tert-butylamine salt
  • Perinodopril
  • Perigard
  • Conversyl
  • Perindopril tert-butylamine

Work with Perindopril erbumine

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

Perindopril82834-16-087 % similar Trandolapril87679-37-669 % similar Perindopril L-arginine612548-45-569 % similar Perindoprilat95153-31-469 % similar Ramipril87333-19-567 % similar N-[(1S)-1-Carboxyethyl]-L-norvaline 1-ethyl ester82834-12-653 % similar Ramiprilat87269-97-451 % similar Enalapril75847-73-348 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook