Nicergoline

The Nicergoline is an organic compound with the formula C₂₄H₂₆BrN₃O₃. The systematic name of this chemical is [(8β)-10-methoxy-1,6-dimethylergolin-8-yl]methyl 5-bromopyridine-3-carboxylate. With the CAS registry number 27848-84-6, it is also named as 1-Methyllumilysergol 8-(5-Bromonicotinate) 10-Methyl Ether. The product's categories are Miscellaneous Natural Products; Miscellaneous; Adrenoceptor. Besides, it should be stored at temperature of 2 - 8 °C.

Physical properties about Nicergoline are: (1)ACD/LogP: 4.34; (2)ACD/LogD (pH 5.5): 2.12; (3)ACD/LogD (pH 7.4): 3.81; (4)ACD/BCF (pH 5.5): 6.99; (5)ACD/BCF (pH 7.4): 343.15; (6)ACD/KOC (pH 5.5): 32.71; (7)ACD/KOC (pH 7.4): 1604.94; (8)#H bond acceptors: 6; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 56.59 Å²; (11)Index of Refraction: 1.67; (12)Molar Refractivity: 122.53 cm³; (13)Molar Volume: 327.9 cm³; (14)Polarizability: 48.57×10^-24cm³; (15)Surface Tension: 50.6 dyne/cm; (16)Density: 1.47 g/cm³; (17)Flash Point: 313.3 °C; (18)Enthalpy of Vaporization: 88.59 kJ/mol; (19)Boiling Point: 594.4 °C at 760 mmHg; (20)Vapour Pressure: 4.28E-14 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. When you are using it, wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(cnc1)C(=O)OC[C@@H]3C[C@]4(OC)c5cccc2c5c(cn2C)C[C@H]4N(C3)C
(2)InChI: InChI=1/C24H26BrN3O3/c1-27-13-17-8-21-24(30-3,19-5-4-6-20(27)22(17)19)9-15(12-28(21)2)14-31-23(29)16-7-18(25)11-26-10-16/h4-7,10-11,13,15,21H,8-9,12,14H2,1-3H3/t15-,21-,24+/m1/s1
(3)InChIKey: YSEXMKHXIOCEJA-FVFQAYNVBF
(4)Std. InChI: InChI=1S/C24H26BrN3O3/c1-27-13-17-8-21-24(30-3,19-5-4-6-20(27)22(17)19)9-15(12-28(21)2)14-31-23(29)16-7-18(25)11-26-10-16/h4-7,10-11,13,15,21H,8-9,12,14H2,1-3H3/t15-,21-,24+/m1/s1
(5)Std. InChIKey: YSEXMKHXIOCEJA-FVFQAYNVSA-N

The toxicity data is as follows: