chempirical

Cilazapril monohydrate

C22H33N3O6CAS 92077-78-6435.52 g/mol

Open in Covalent MOL file
OONHNOOHNOH2O
AmideCarboxylic acidEsterLactamSecondary amineTertiary amine

Properties

Molecular formula
C22H33N3O6
Molar mass
435.52 g/mol
Exact mass
435.2369 Da
logP
0.77Crippen estimate
Polar surface area
130.7 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
8
Stereocentres
S, S, Sin SMILES atom order

Identifiers

CAS number
92077-78-6
SMILES
CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O.O
InChIKey
JQRZBPFGBRIWSN-YOTVLOEGSA-N
InChI
InChI=1S/C22H31N3O5.H2O/c1-2-30-22(29)18(13-12-16-8-4-3-5-9-16)23-17-10-6-14-24-15-7-11-19(21(27)28)25(24)20(17)26;/h3-5,8-9,17-19,23H,2,6-7,10-15H2,1H3,(H,27,28);1H2/t17-,18-,19-;/m0./s1

Weigh it out

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

Names and synonyms

3 names
  • 6H-Pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid, 9-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]octahydro-10-oxo-, hydrate (1:1), (1S,9S)-
  • 6H-Pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid, 9-[[1-(ethoxycarbonyl)-3-phenylpropyl]amino]octahydro-10-oxo-, monohydrate, [1S-[1α,9α(R*)]]-
  • 6H-Pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid, 9-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]octahydro-10-oxo-, monohydrate, (1S,9S)-

Work with Cilazapril monohydrate

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

Cilazapril88768-40-595 % similar Enalapril75847-73-369 % similar N-[1(S)-Ethoxycarbonyl-3-phenylpropyl]-L-alanine82717-96-259 % similar Ramipril87333-19-559 % similar Trandolapril87679-37-659 % similar Quinapril85441-61-857 % similar Imidapril89371-37-957 % similar N-[(1S)-1-Carboxy-3-phenylpropyl]-L-alanyl-L-proline hydrate (1:2)84680-54-656 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook