Yohimban-16-carboxylicacid,17-hydroxy-,methyl ester, hydrochloride (1:1), (16a,17a)-

The CAS registry number of Yohimbine hydrochloride is 65-19-0. Its EINECS registry number is 200-600-4. The IUPAC name is methyl (16α,17α)-17-hydroxyyohimban-16-carboxylate hydrochloride (1:1).  In addition, the molecular formula is C₂₁H₂₆N₂O₃.ClH and the molecular weight is 354.44. It is a kind of white to slightly yellow powder and belongs to the classes of Alkaloids; Biochemistry; Indole Alkaloids; Natural Plant Extract; Adrenoceptor; Adrenoceptors. What's more, it is a plant alkaloid with alpha-2-adrenergic blocking activity.

Physical properties about this chemical are: (1)ACD/LogP: 2.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.56; (4)ACD/LogD (pH 7.4): 1.05; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.95; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 26.39; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 43.7 Å²; (13)Flash Point: 282.2 °C; (14)Enthalpy of Vaporization: 86.43 kJ/mol; (15)Boiling Point: 543 °C at 760 mmHg; (16)Vapour Pressure: 1.27E-12 mmHg at 25°C.

Uses of Yohimbine hydrochloride: it can be used for biochemical studies. And it is used as a mydriatic and in the treatment of erectile dysfunction. In addition, it can be used to get 2-hydroxy-1,2,3,4,4a,5,7,8,8a,13,13a,13b,14,14a-tetradecahydro-indolo[2',3':3,4]pyrido[1,2-b]isoquinoline-1-carboxylic acid methyl ester. This reaction will need reagent NaBH₃CN and solvent trifluoroacetic acid. The yield is about 100%.

When you are using this chemical, please be cautious about it as the following:
It has danger of cumulative effects. And it is toxic by inhalation, in contact with skin and if swallowed. During using it, wear suitable protective clothing and gloves and eye/face protection and avoid contact with skin and eyes. And in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.). In addition, do not breathe dust.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=C(OC)[C@@H]5[C@H]4C[C@H]3c2nc1ccccc1c2CCN3C[C@@H]4CC[C@@H]5O
(2)InChI: InChI=1/C21H26N2O3.ClH/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24;/h2-5,12,15,17-19,22,24H,6-11H2,1H3;1H/t12-,15-,17-,18-,19+;/m0./s1
(3)InChIKey: PIPZGJSEDRMUAW-VJDCAHTMBF

The toxicity data is as follows: