Moexipril

C27H34N2O7CAS 103775-10-6498.58 g/mol

Open in Covalent MOL file
OONHONOOOOH
AmideCarboxylic acidEsterEtherSecondary amine

Properties

Molecular formula
C27H34N2O7
Molar mass
498.58 g/mol
Exact mass
498.2366 Da
logP
2.58Crippen estimate
Polar surface area
114.4 Ų
H-bond donors / acceptors
2 / 7
Rotatable bonds
11
Stereocentres
S, S, Sin SMILES atom order

Hazards

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

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Identifiers

CAS number
103775-10-6
SMILES
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2cc(OC)c(OC)cc2C[C@H]1C(=O)O
InChIKey
UWWDHYUMIORJTA-HSQYWUDLSA-N
InChI
InChI=1S/C27H34N2O7/c1-5-36-27(33)21(12-11-18-9-7-6-8-10-18)28-17(2)25(30)29-16-20-15-24(35-4)23(34-3)14-19(20)13-22(29)26(31)32/h6-10,14-15,17,21-22,28H,5,11-13,16H2,1-4H3,(H,31,32)/t17-,21-,22-/m0/s1

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Names and synonyms

5 names
  • 3-Isoquinolinecarboxylic acid, 2-[2-[[1-(ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-, [3S-[2[R*(R*)],3R*]]-
  • 3-Isoquinolinecarboxylic acid, 2-[(2S)-2-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-, (3S)-
  • (3S)-2-[(2S)-2-[[(1S)-1-(Ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylic acid
  • RS 10085
  • Moclobenid

Work with Moexipril

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.

Moexipril hydrochloride82586-52-5Salt

Similar compounds

Quinapril85441-61-881 % similar Quinapril hydrochloride82586-55-880 % similar Enalapril75847-73-369 % similar Enalapril maleate76095-16-463 % similar N-[1(S)-Ethoxycarbonyl-3-phenylpropyl]-L-alanine82717-96-260 % similar Ramipril87333-19-559 % similar Trandolapril87679-37-659 % similar Imidapril89371-37-959 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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