CAS No.98048-97-6,Fosinopril Suppliers

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Basic Information

Molecular Structure:
CAS No.:	98048-97-6
Name:	Fosinopril
Article Data:	5

Formula:	C₃₀H₄₆NO₇P
Molecular Weight:	563.672
Synonyms:	L-Proline, 4-cyclohexyl-1-(((2-methyl-1-(1-oxopropoxy)propoxy)(4-phenylbutyl)phosphinyl)acetyl)-, (1(S(R)),2alpha,4beta)-;L-Proline, 4-cyclohexyl-1-(((2-methyl-1-(1-oxopropoxy)propoxy)(4-phenylbutyl)phosphinyl)acetyl)-, (2alpha,4beta)-;
EINECS:	1806241-263-5
Density:	1.173 g/cm³
Melting Point:	149-153 °C
Boiling Point:	705.7 °C at 760 mmHg
Flash Point:	380.6 °C
Solubility:	Insoluble in water
Appearance:	White crystal
PSA:	120.02000
LogP:	6.05920

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Specification

The IUPAC name of Fosinopril is (2S,4S)-4-cyclohexyl-1-[2-[(2-methyl-1-propanoyloxypropoxy)-(4-phenylbutyl)phosphoryl]acetyl]pyrrolidine-2-carboxylic acid. With the CAS registry number 98048-97-6, it is also named as L-Proline, 4-cyclohexyl-1-(((2-methyl-1-(1-oxopropoxy)propoxy)(4-phenylbutyl)phosphinyl)acetyl)-, (2alpha,4beta)-. The classification codes are Angiotensin-converting enzyme inhibitors; Antihypertensive agents; Cardiovascular Agents; Enzyme Inhibitors; Protease Inhibitors. It is a prodrug that is converted to its active metabolite fosinoprilat.

The other characteristics of this product can be summarized as: (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)Index of Refraction: 1.531; (9)Molar Refractivity: 148.8 cm³; (10)Molar Volume: 480.4 cm³; (11)Polarizability: 58.98×10^-24 cm³; (12)Surface Tension: 48.3 dyne/cm ; (13)Flash Point: 380.6 °C; (14)Enthalpy of Vaporization: 108.41 kJ/mol; (15)Boiling Point: 705.7 °C at 760 mmHg; (16)Vapour Pressure: 6.67E-21 mmHg at 25°C; (17)Rotatable Bond Count: 15; (18)Exact Mass: 563.301189; (19)MonoIsotopic Mass: 563.301189; (20)Topological Polar Surface Area: 110; (21)Heavy Atom Count: 39; (22)Complexity: 850; (23)Defined Atom StereoCenter Count: 2; (24)Undefined Atom StereoCenter Count: 2.

Uses of Fosinopril: It is an angiotensin converting enzyme (ACE) inhibitor used for the treatment of hypertension and some types of chronic heart failure.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(CP(=O)(CCCCc1ccccc1)O[C@@H](OC(=O)CC)C(C)C)N2C[C@@H](C[C@H]2C(O)=O)C3CCCCC3
2. InChI:InChI=1/C30H46NO7P/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)/t25-,26+,30-,39-/m1/s1
3. InChIKey:BIDNLKIUORFRQP-YPEQAXFABT