chempirical

Benazepril

C24H28N2O5CAS 86541-75-5424.50 g/mol

Open in Covalent MOL file
OONHNOHOO
AmideCarboxylic acidEsterLactamSecondary amine

Properties

Molecular formula
C24H28N2O5
Molar mass
424.50 g/mol
Exact mass
424.1998 Da
Melting point
148.5 °C
logP
2.57Crippen estimate
Polar surface area
95.9 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
9
Stereocentres
S, Sin SMILES atom order

Hazards

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

Identifiers

CAS number
86541-75-5
SMILES
CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCc2ccccc2N(CC(=O)O)C1=O
InChIKey
XPCFTKFZXHTYIP-PMACEKPBSA-N
InChI
InChI=1S/C24H28N2O5/c1-2-31-24(30)20(14-12-17-8-4-3-5-9-17)25-19-15-13-18-10-6-7-11-21(18)26(23(19)29)16-22(27)28/h3-11,19-20,25H,2,12-16H2,1H3,(H,27,28)/t19-,20-/m0/s1

Weigh it out

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

Names and synonyms

8 names
  • 1H-1-Benzazepine-1-acetic acid, 3-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-2,3,4,5-tetrahydro-2-oxo-, (3S)-
  • 1H-1-Benzazepine-1-acetic acid, 3-[[1-(ethoxycarbonyl)-3-phenylpropyl]amino]-2,3,4,5-tetrahydro-2-oxo-, [S-(R*,R*)]-
  • (3S)-3-[[(1S)-1-(Ethoxycarbonyl)-3-phenylpropyl]amino]-2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepine-1-acetic acid
  • Cibacen WS
  • Benapril
  • Cibacen
  • Briem
  • Cibacene

Work with Benazepril

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.

Benazepril hydrochloride86541-74-4Salt

Similar compounds

Delapril hydrochloride83435-67-062 % similar Temocapril111902-57-957 % similar Temocapril hydrochloride110221-44-855 % similar Cilazapril88768-40-555 % similar N-[1(S)-Ethoxycarbonyl-3-phenylpropyl]-L-alanine82717-96-254 % similar Quinapril85441-61-853 % similar Cilazapril monohydrate92077-78-653 % similar Enalapril75847-73-351 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook