MOEXIPRIL HYDROCHLORIDE

The Moexipril hydrochloride with CAS registry number of 82586-52-5 is also known as 3-Isoquinolinecarboxylicacid,2-[(2S)-2-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-,hydrochloride (1:1), (3S)-. The IUPAC name is (3S)-2-[(2S)-2-[[(2S)-1-Ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid hydrochloride. It belongs to product categories of Chiral Reagents; Intermediates & Fine Chemicals; Pharmaceuticals. In addition, the formula is C₂₇H₃₄N₂O₇.ClH and the molecular weight is 535.03. This chemical is a crystalline solid and should be stored at the temperature of 2-8 °C. What's more, it can be used as angiotensin converting enzyme (ACE) inhibitor and dimethoxy analog of quinapril. As it is very toxic to aquatic organisms, this material and its container must be disposed of as hazardous waste.

Physical properties about Moexipril hydrochloride are: (1)ACD/LogP: 4.06; (2)ACD/LogD (pH 5.5): 1.85; (3)ACD/LogD (pH 7.4): 0.49; (4)ACD/BCF (pH 5.5): 4.41; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 23.75; (7)ACD/KOC (pH 7.4): 1.04; (8)#H bond acceptors: 9; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 12; (11)Polar Surface Area: 94.61Ų; (12)Flash Point: 382.8 °C; (13)Enthalpy of Vaporization: 108.91 kJ/mol; (14)Boiling Point: 709.3 °C at 760 mmHg; (15)Vapour Pressure: 4.1E-21 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC3=CC(=C(C=C3CC2C(=O)O)OC)OC.Cl
2. Isomeric SMILES: CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2CC3=CC(=C(C=C3C[C@H]2C(=O)O)OC)OC.Cl
3. InChI: InChI=1S/C27H34N2O7.ClH/c1-5-36-27(33)21(12-11-18-9-7-6-8-10-18)28-17(2)25(30)29-16-20-15-24(35-4)23(34-3)14-19(20)13-22(29)26(31)32;/h6-10,14-15,17,21-22,28H,5,11-13,16H2,1-4H3,(H,31,32);1H/t17-,21-,22-;/m0./s1
4. InChIKey: JXRAXHBVZQZSIC-JKVLGAQCSA-N

The toxicity data is as follows: