CAS No.86541-75-5,Benazepril Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	86541-75-5
Name:	Benazepril
Article Data:	4

Formula:	C₂₄H₂₈N₂O₅
Molecular Weight:	424.497
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;
Density:	1.26 g/cm³
Melting Point:	133-135°C(lit.)
Boiling Point:	691.2 °C at 760 mmHg
Flash Point:	371.8 °C
Safety:	22-24/25
PSA:	95.94000
LogP:	3.02900

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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.

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