The Raubasine, with the CAS registry number 483-04-5, is also known as Ajmalicine. It belongs to the product categories of Aromatics; Heterocycles; Intermediates & Fine Chemicals; Pharmaceuticals. Its EINECS registry number is 207-589-5. This chemical's molecular formula is C₂₁H₂₄N₂O₃ and molecular weight is 352.43. What's more, its systematic name is called Methyl (19α)-19-methyl-16,17-didehydro-18-oxayohimban-16-carboxylate. Raubasine is an antihypertensive drug used in the treatment of high blood pressure. It is also an alkaloid found naturally in various plants.

Physical properties about Raubasine are: (1)ACD/LogP: 2.519; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.08; (4)ACD/LogD (pH 7.4): 1.60; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 5.80; (7)ACD/KOC (pH 5.5): 1.39; (8)ACD/KOC (pH 7.4): 67.05; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 54.56 Å²; (13)Index of Refraction: 1.656; (14)Molar Refractivity: 99.371 cm³; (15)Molar Volume: 270.407 cm³; (16)Polarizability: 39.394×10^-24cm³; (17)Surface Tension: 58.687 dyne/cm; (18)Density: 1.303 g/cm³; (19)Flash Point: 270.731 °C; (20)Enthalpy of Vaporization: 79.785 kJ/mol; (21)Boiling Point: 524.042 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

Preparation of Raubasine: this chemical can be prepared by (16E,19S)-17,19-epoxy-16-methoxycarbonyl-coryna-3,16-dienium; perchlorate. This reaction needs reagent (n-C₄H₉)₃SnH and solvent methanol at ambient temperature. The reaction time is 5 min. The yield is 90 %.

Uses of Raubasine: it is used to produce other chemicals. For example, it can produce (2S,7R)-2,7-dihydroajmalicine. The reaction occurs with reagents trifluoroacetic acid, triethylsilane and the reaction temperature from 0 °C to room temperature. The yield is 85 %.

When you are dealing with this chemical, you should be very careful. This chemical is toxic if swallowed. The gas can not be breathed. In case of accident or if you feel unwell you should seek medical advice immediately.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC)\C4=C\O[C@H]([C@H]5CN3CCc1c(nc2ccccc12)[C@@H]3C[C@H]45)C
(2) InChI: InChI=1S/C21H24N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3/t12-,15-,16+,19-/m0/s1
(3) InChIKey: GRTOGORTSDXSFK-XJTZBENFSA-N

The toxicity data is as follows: