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Benazepril

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Name

Benazepril

EINECS N/A
CAS No. 86541-75-5 Density 1.26 g/cm3
PSA 95.94000 LogP 3.02900
Solubility N/A Melting Point 133-135°C(lit.)
Formula C24H28N2O5 Boiling Point 691.2 °C at 760 mmHg
Molecular Weight 424.497 Flash Point 371.8 °C
Transport Information N/A Appearance N/A
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 86541-75-5 (Benazepril) Hazard Symbols N/A
Synonyms

1H-1-Benzazepine-1-aceticacid, 3-[[1-(ethoxycarbonyl)-3-phenylpropyl]amino]-2,3,4,5-tetrahydro-2-oxo-,[S-(R*,R*)]-;Benapril;Briem;Cibacen;Cibacen WS;Cibacene;[(3S)-3-{[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino}-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]acetic acid;1H-1-benzazepine-1-acetic acid, 3-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-2,3,4,5-tetrahydro-2-oxo-, (3S)-;acide [(3S)-3-{[(1S)-1-(éthoxycarbonyl)-3-phénylpropyl]amino}-2-oxo-2,3,4,5-tétrahydro-1H-1-benzazépin-1-yl]acétique;

Article Data 4

Benazepril History

According to a 2006 article in the New England Journal of Medicine, patients with advanced renal insufficiency taking benazepril showed "substantial" kidney benefits.
This study marks the first indication that benazepril, and perhaps other ACE inhibitors, may actually be beneficial in the treatment of hypertension in patients with kidney disease.

Benazepril Specification

The Benazepril, with the CAS registry number 86541-75-5, has the systematic name of 2-[(3S)-3-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]acetic acid. It belongs to the product categories of Active Pharmaceutical Ingredients and Antihypertensive. The molecular formula of this chemical is C24H28N2O5. What's more, it is a medication used to treat high blood pressure (hypertension), congestive heart failure, and chronic renal failure. In addition, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes.

The physical properties of Benazepril are as following: (1)ACD/LogP: 3.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.75; (4)ACD/LogD (pH 7.4): 0.31; (5)ACD/BCF (pH 5.5): 3.95; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 23.39; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 76.15 Å2; (13)Index of Refraction: 1.607; (14)Molar Refractivity: 116.09 cm3; (15)Molar Volume: 335.8 cm3; (16)Polarizability: 46.02×10-24cm3; (17)Surface Tension: 58.9 dyne/cm; (18)Density: 1.26 g/cm3; (19)Flash Point: 371.8 °C; (20)Enthalpy of Vaporization: 106.37 kJ/mol; (21)Boiling Point: 691.2 °C at 760 mmHg; (22)Vapour Pressure: 4.69E-20 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)[C@@H](N[C@@H]2C(=O)N(c1ccccc1CC2)CC(=O)O)CCc3ccccc3
(2)InChI: InChI=1/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
(3)InChIKey: XPCFTKFZXHTYIP-PMACEKPBBT

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