Benazepril hydrochloride

C₂₄H₂₉ClN₂O₅CAS 86541-74-4460.96 g/mol

Open in Covalent MOL file

Amide Carboxylic acid Ester Lactam Secondary amine

Properties

Molecular formula: C₂₄H₂₉ClN₂O₅
Molar mass: 460.96 g/mol
Exact mass: 460.1765 Da
Melting point: 188–190 °C
logP: 2.99Crippen estimate
Polar surface area: 95.9 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 9
Stereocentres: S, Sin SMILES atom order

Hazards

Warning

H361 Suspected of damaging fertility or the unborn child93.4% of notifiers

Aggregated from 76 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P280, P318, P405, P501

Identifiers

CAS number

86541-74-4

SMILES

CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCc2ccccc2N(CC(=O)O)C1=O.Cl

InChIKey

VPSRQEHTHIMDQM-FKLPMGAJSA-N

InChI

InChI=1S/C24H28N2O5.ClH/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);1H/t19-,20-;/m0./s1

Weigh it out

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

Names and synonyms

7 names

1H-1-Benzazepine-1-acetic acid, 3-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-2,3,4,5-tetrahydro-2-oxo-, hydrochloride (1:1), (3S)-
1H-1-Benzazepine-1-acetic acid, 3-[[1-(ethoxycarbonyl)-3-phenylpropyl]amino]-2,3,4,5-tetrahydro-2-oxo-, monohydrochloride, [S-(R*,R*)]-
1H-1-Benzazepine-1-acetic acid, 3-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-2,3,4,5-tetrahydro-2-oxo-, monohydrochloride, (3S)-
CGS 14824A
Lotensin
Lotension
CGS 14824A HCl

Work with Benazepril 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

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.

Benazepril86541-75-5Free base

Similar compounds

Delapril hydrochloride83435-67-066 % similar Temocapril hydrochloride110221-44-859 % similar Temocapril111902-57-955 % similar Quinapril hydrochloride82586-55-855 % similar Cilazapril88768-40-553 % similar N-[1(S)-Ethoxycarbonyl-3-phenylpropyl]-L-alanine82717-96-252 % similar Quinapril85441-61-851 % similar Cilazapril monohydrate92077-78-651 % similar

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

Elsewhere

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