Fosinopril sodium

The Fosinopril Sodium, with the cas registry number 88889-14-9, has the IUPAC name of sodium
(2S,4S)-4-cyclohexyl-1-[2-[(2-methyl-1-propanoyloxypropoxy)-(4-phenylbutyl)phosphoryl]acetyl]pyrrolidine-2-carboxylate. This is a kind of white to off-white crystalline solid, with the product categories including API;Intermediates & Fine Chemicals; Pharmaceuticals. As to its usage, a phosphinic acid contains angiotensin converting enzyme (ACE) inhibitor.

The physical properties of this chemical are as follows: (1)ACD/LogP: 6.09; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 4.21; (4)ACD/LogD (pH 7.4): 2.63; (5)#H bond acceptors: 8; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 15; (8)Polar Surface Area: 120.02; (9)Index of Refraction: 1.531; (10)Molar Refractivity: 148.8 cm³; (11)Molar Volume: 480.4 cm³; (12)Polarizability: 58.98 ×10^-24 cm³; (13)Surface Tension: 48.3 dyne/cm; (14)Density: 1.173 g/cm³; (15)Flash Point: 380.6 °C; (16)Enthalpy of Vaporization: 108.41 kJ/mol; (17)Boiling Point: 705.7 °C at 760 mmHg; (18)Vapour Pressure: 6.67E-21 mmHg at 25°C; (19)Exact Mass: 585.283134; (20)MonoIsotopic Mass: 585.283134; (21)Topological Polar Surface Area: 113; (22)Heavy Atom Count: 40; (23)Formal Charge: 0; (24)Complexity: 857.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CCC(=O)OC(C(C)C)OP(=O)(CCCCC1=CC=CC=C1)CC(=O)N2CC(CC2C(=O)[O-])C3CCCCC3.
[Na+]Isomeric SMILES: CCC(=O)OC(C(C)C)OP(=O)(CCCCC1=CC=CC=C1)CC(=O)N2C[C@@H](C[C@H]2C(=O)[O-])
C3CCCCC3.[Na+]
(2)InChI: InChI=1S/C30H46NO7P.Na/c1-4-28(33)37-30(22(2)3)38-39(36,18-12-11-15-23-13-7-5-8-14-23)21-27(32)31-20-25(19-26(31)29(34)35)24-16-9-6-10-17-24;/h5,7-8,13-14,22,24-26,30H,4,6,9-12,15-21H2,1-3H3,(H,34,35);/q;+1/p-1/t25-,26+,30?,39?;/m1./s1
(3)InChIKey: TVTJZMHAIQQZTL-HREVRLCXSA-M