Alfuzosin hydrochloride

The IUPAC name of Xatral is N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide hydrochloride. With the CAS registry number 81403-68-1, it is also named as Alfuzosin hydrochloride [USAN]; 2-Furancarboxamide, N-(3-((4-amino-6,7-dimethoxy-2-quinazolinyl)methylamino)propyl)tetrahydro-, monohydrochloride (+-)-. The product's categories are APIs, antihypertensive, treatment of BPH, intermediates & fine chemicals, pharmaceuticals and alfuzosin. It is white to off-white solid which is harmful if swallowed.

The other characteristics of this product can be summarized as: (1)ACD/LogP: -1.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.43; (4)ACD/LogD (pH 7.4): -2.33; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 9; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 8; (12)Enthalpy of Vaporization: 102.62 kJ/mol; (13)Vapour Pressure: 3.75E-19 mmHg at 25°C; (14)Rotatable Bond Count: 8; (15)Tautomer Count: 6; (16)Exact Mass: 425.182982; (17)MonoIsotopic Mass: 425.182982; (18)Topological Polar Surface Area: 112; (19)Heavy Atom Count: 29.

Preparation of Xatral: It can obtained by 2-chloro-6,7-dimethoxy-quinazolin-4-ylamine and tetrahydro-N-[3-(methylamino)propyl]-furancarboxamide. This reaction needs solvent 3-methyl-butan-1-ol by heating. The reaction time is 12 hours. The yield is 66%.

Uses of Xatral: It is a-1- Adrenoceptor antagonist structurally similar to prozosin. It is used to treat the signs and symptoms of benign enlargement of the prostate (benign prostatic hyperplasia or BPH).

People can use the following data to convert to the molecule structure.
1. SMILES: O=C(NCCCN(c2nc1cc(OC)c(OC)cc1c(n2)N)C)C3OCCC3.Cl;
2. InChI: InChI=1/C19H27N5O4.ClH/c1-24(8-5-7-21-18(25)14-6-4-9-28-14)19-22-13-11-16(27-3)15(26-2)10-12(13)17(20)23-19;/h10-11,14H,4-9H2,1-3H3,(H,21,25)(H2,20,22,23);1H.

The following is the toxicity data which has been tested.