Cilazapril

C₂₂H₃₁N₃O₅CAS 88768-40-5417.51 g/mol

Open in Covalent MOL file

Amide Carboxylic acid Ester Lactam Secondary amine Tertiary amine

Properties

Molecular formula: C₂₂H₃₁N₃O₅
Molar mass: 417.51 g/mol
Exact mass: 417.2264 Da
logP: 1.60Crippen estimate
Polar surface area: 99.2 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 8
Stereocentres: S, S, Sin SMILES atom order

Identifiers

CAS number

88768-40-5

SMILES

CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O

InChIKey

HHHKFGXWKKUNCY-FHWLQOOXSA-N

InChI

InChI=1S/C22H31N3O5/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)/t17-,18-,19-/m0/s1

Weigh it out

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

Names and synonyms

7 names

6H-Pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid, 9-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]octahydro-10-oxo-, (1S,9S)-
6H-Pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid, 9-[[1-(ethoxycarbonyl)-3-phenylpropyl]amino]octahydro-10-oxo-, [1S-[1α,9α(R*)]]-
(1S,9S)-9-[[(1S)-1-(Ethoxycarbonyl)-3-phenylpropyl]amino]octahydro-10-oxo-6H-pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid
Ro 31-2848
Yipingshu
Vascace
Inhibace

Work with Cilazapril

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

Cilazapril monohydrate92077-78-695 % similar Enalapril75847-73-372 % similar N-[1(S)-Ethoxycarbonyl-3-phenylpropyl]-L-alanine82717-96-262 % similar Ramipril87333-19-561 % similar Trandolapril87679-37-661 % similar Quinapril85441-61-860 % similar Imidapril89371-37-959 % similar Quinapril hydrochloride82586-55-857 % similar

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

Same formula

Cinepazide23887-46-9

Elsewhere

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