CINITAPRIDE HYDROGEN TARTRATE

The Cinitapride, with the CAS registry number 66564-14-5,is also known as 4-Amino-N-[1-(3-cyclohexen-1-ylmethyl)-4-piperidinyl]-2-ethoxy-5-nitrobenzamide. It belongs to the product categories of Intermediates & Fine Chemicals;Pharmaceuticals. This chemical's molecular formula is C₂₁H₃₀N₄O₄ and molecular weight is 402.49. What's more,Its systematic name is 4-Amino-N-(1-(3-cyclohexen-1-ylmethyl)-4-piperidyl)-2-ethoxy-5-nitrobenzamide.

Physical properties about Cyclopentadiene are:
(1)D/LogP:  3.764; (2)# of Rule of 5 Violations:  0; (3)ACD/LogD (pH 5.5):  1.00; (4)ACD/LogD (pH 7.4):  2.6; (5)ACD/BCF (pH 5.5):  1.00; (6)ACD/BCF (pH 7.4):  29.23; (7)ACD/KOC (pH 5.5):  4.54; (8)ACD/KOC (pH 7.4):  181.88; (9)#H bond acceptors:  8; (10)#H bond donors:  3; (11)#Freely Rotating Bonds:  8; (12)Index of Refraction:  1.603; (13)Molar Refractivity:  111.028 cm³; (14)Molar Volume:  323.249 cm³; (15)Surface Tension:  58.1279983520508 dyne/cm; (16)Density:  1.245 g/cm³; (17)Flash Point:  304.471 °C; (18)Enthalpy of Vaporization:  86.746 kJ/mol; (19)Boiling Point:  579.832 °C at 760 mmHg; (20)Vapour Pressure:  0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:[O-][N+](=O)c1cc(c(OCC)cc1N)C(=O)NC3CCN(CC2CC\C=C/C2)CC3;
(2)Std. InChI:InChI=1S/C21H30N4O4/c1-2-29-20-13-18(22)19(25(27)28)12-17(20)21(26)23-16-8-10-24(11-9-16)14-15-6-4-3-5-7-15/h3-4,12-13,15-16H,2,5-11,14,22H2,1H3,(H,23,26);
(3)Std. InChIKey:ZDLBNXXKDMLZMF-UHFFFAOYSA-N.