chempirical

Moexipril hydrochloride

C27H35ClN2O7CAS 82586-52-5535.03 g/mol

Open in Covalent MOL file
OONHONOOOHOHCl
AmideCarboxylic acidEsterEtherSecondary amine

Properties

Molecular formula
C27H35ClN2O7
Molar mass
535.03 g/mol
Exact mass
534.2133 Da
logP
3.01Crippen estimate
Polar surface area
114.4 Ų
H-bond donors / acceptors
2 / 7
Rotatable bonds
11
Stereocentres
S, S, Sin SMILES atom order

Identifiers

CAS number
82586-52-5
SMILES
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2cc(OC)c(OC)cc2C[C@H]1C(=O)O.Cl
InChIKey
JXRAXHBVZQZSIC-JKVLGAQCSA-N
InChI
InChI=1S/C27H34N2O7.ClH/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);1H/t17-,21-,22-;/m0./s1

Weigh it out

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

Names and synonyms

8 names
  • 3-Isoquinolinecarboxylic acid, 2-[(2S)-2-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-, hydrochloride (1:1), (3S)-
  • 3-Isoquinolinecarboxylic acid, 2-[2-[[1-(ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-, monohydrochloride, [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-, monohydrochloride, (3S)-
  • SPM 925
  • CI 925
  • Univasc
  • RS 10085-197
  • Primox

Work with Moexipril 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

Similar compounds

Moexipril103775-10-697 % similar Quinapril hydrochloride82586-55-883 % similar Quinapril85441-61-879 % similar Enalapril75847-73-368 % similar Imidapril hydrochloride89396-94-162 % similar Delapril hydrochloride83435-67-061 % similar N-[1(S)-Ethoxycarbonyl-3-phenylpropyl]-L-alanine82717-96-259 % similar Ramipril87333-19-558 % similar

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

Elsewhere

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