Acebrophylline CAS NO.96989-76-3

The Acebrophylline, its cas register number is 96989-76-3. It also can be called as 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetic acid with trans-4-[[(2-Amino-3,5-dibromophenyl)methyl]amino]cyclohexanol and the IUPAC name about this chemical is 4-[(2-Amino-3,5-dibromophenyl)methylamino]cyclohexan-1-ol; 2-(1,3-Dimethyl-2,6-dioxopurin-7-yl)acetic acid.

Following are the chemical properties about Acebrophylline: (1)#H bond acceptors: 3; (2)#H bond donors: 4; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 15.71 2; (5)Enthalpy of Vaporization: 77 kJ/mol; (6)Vapour Pressure: 1.38E-09 mmHg at 25°C

Acebrophylline is an airway mucus regulator with antiinflammatory action. The drug's approach involves several points of attack in obstructive airway disease. The molecule contains ambroxol, which facilitates various steps in the biosynthesis of pulmonary surfactant, theophylline-7 acetic acid whose carrier function raises blood levels of ambroxol, thus rapidly and intensely stimulating surfactant production. The resulting reduction in the viscosity and adhesivity of the mucus greatly improves ciliary clearance. By deviating phosphatidylcholine towards surfactant synthesis, making it no longer available for the synthesis of inflammatory mediators such as the leukotrienes, acebrophylline also exerts an inflammatory effect. This is confirmed in vivo by the reduction in aspecific bronchial hyperresponsiveness in patients with stable bronchial asthma.

This chemical can be described computed from structure:
(1)Canonical SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)O.C1CC(CCC1NCC2=CC(=CC(=C2N)Br)Br)O
(2)InChI: InChI=1S/C13H18Br2N2O.C9H10N4O4/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10;1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15/h5-6,10-11,17-18H,1-4,7,16H2;4H,3H2,1-2H3,(H,14,15) 
(3)InChIKey: IPUHJDQWESJTGD-UHFFFAOYSA-N

The Acebrophylline, its cas register number is 96989-76-3. It also can be called as 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetic acid with trans-4-[[(2-Amino-3,5-dibromophenyl)methyl]amino]cyclohexanol and the IUPAC name about this chemical is 4-[(2-Amino-3,5-dibromophenyl)methylamino]cyclohexan-1-ol; 2-(1,3-Dimethyl-2,6-dioxopurin-7-yl)acetic acid.

Following are the chemical properties about Acebrophylline: (1)#H bond acceptors: 3; (2)#H bond donors: 4; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 15.71 2; (5)Enthalpy of Vaporization: 77 kJ/mol; (6)Vapour Pressure: 1.38E-09 mmHg at 25°C

Acebrophylline is an airway mucus regulator with antiinflammatory action. The drug's approach involves several points of attack in obstructive airway disease. The molecule contains ambroxol, which facilitates various steps in the biosynthesis of pulmonary surfactant, theophylline-7 acetic acid whose carrier function raises blood levels of ambroxol, thus rapidly and intensely stimulating surfactant production. The resulting reduction in the viscosity and adhesivity of the mucus greatly improves ciliary clearance. By deviating phosphatidylcholine towards surfactant synthesis, making it no longer available for the synthesis of inflammatory mediators such as the leukotrienes, acebrophylline also exerts an inflammatory effect. This is confirmed in vivo by the reduction in aspecific bronchial hyperresponsiveness in patients with stable bronchial asthma.

This chemical can be described computed from structure:
(1)Canonical SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)O.C1CC(CCC1NCC2=CC(=CC(=C2N)Br)Br)O
(2)InChI: InChI=1S/C13H18Br2N2O.C9H10N4O4/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10;1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15/h5-6,10-11,17-18H,1-4,7,16H2;4H,3H2,1-2H3,(H,14,15) 
(3)InChIKey: IPUHJDQWESJTGD-UHFFFAOYSA-N