Midodrine hydrochloride

The Midodrine hydrochloride, with the CAS registry number 3092-17-9, is also known as 2-Amino-N-(2-(2,5-dimethoxyphenyl)-2-hydroxyethyl)acetamide monohydrochloride. It belongs to the product categories of Intermediates & Fine Chemicals; Pharmaceuticals. This chemical's molecular formula is C₁₂H₁₈N₂O₄^.HCl and molecular weight is 290.74. What's more, its systematic name is N-[2-(2,5-Dimethoxyphenyl)-2-hydroxyethyl]glycinamide hydrochloride (1:1). This chemcial is a phenylalkanolamine derivative which has been found to be effective in treating hypertensive conditions due to their long lasting blood pressure increasing effects.

Physical properties of Midodrine hydrochloride are: (1)ACD/LogP: -0.664; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.25; (4)ACD/LogD (pH 7.4): -0.84; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 6.96; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 51.24 Å²; (13)Flash Point: 274.3 °C; (14)Enthalpy of Vaporization: 84.75 kJ/mol; (15)Boiling Point: 529.9 °C at 760 mmHg; (16)Vapour Pressure: 4.64E-12 mmHg at 25°C.

Uses of Midodrine hydrochloride: it can be used to produce {[2-(2,5-dimethoxy-phenyl)-2-hydroxy-ethylcarbamoyl]-methyl}-carbamic acid ethyl ester. It will need reagent NEt₃ and solvents tetrahydrofuran, H₂Owith the reaction time of 1 hour. The yield is about 95%.

When you are using this chemical, please be cautious about it as the following:
This chemcial is toxic if swallowed. In case of accident or if you feel unwell, you should seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=C(NCC(O)c1cc(OC)ccc1OC)CN
(2)Std. InChI: InChI=1S/C12H18N2O4.ClH/c1-17-8-3-4-11(18-2)9(5-8)10(15)7-14-12(16)6-13;/h3-5,10,15H,6-7,13H2,1-2H3,(H,14,16);1H
(3)Std. InChIKey: MGCQZNBCJBRZDT-UHFFFAOYSA-N

The toxicity data is as follows:  

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
dog	LD50	oral	150mg/kg (150mg/kg)		Drugs in Japan Vol. -, Pg. 1333, 1995.
mouse	LD50	intraperitoneal	171mg/kg (171mg/kg)		Drugs in Japan Vol. -, Pg. 1152, 1990.
mouse	LD50	intravenous	56200ug/kg (56.2mg/kg)		Drugs in Japan Vol. -, Pg. 1152, 1990.
mouse	LD50	oral	246mg/kg (246mg/kg)		Drugs in Japan Vol. -, Pg. 1152, 1990.
mouse	LD50	subcutaneous	170mg/kg (170mg/kg)		Drugs in Japan Vol. -, Pg. 1152, 1990.
rat	LD50	intraperitoneal	31300ug/kg (31.3mg/kg)		Drugs in Japan Vol. -, Pg. 1152, 1990.
rat	LD50	intravenous	18200ug/kg (18.2mg/kg)		Drugs in Japan Vol. -, Pg. 1152, 1990.
rat	LD50	oral	68800ug/kg (68.8mg/kg)		Drugs in Japan Vol. -, Pg. 1152, 1990.
rat	LD50	subcutaneous	51mg/kg (51mg/kg)		Drugs in Japan Vol. -, Pg. 1152, 1990.