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3092-17-9

Basic Information
CAS No.: 3092-17-9
Name: Midodrine hydrochloride
Article Data: 8
Molecular Structure:
Molecular Structure of 3092-17-9 (Midodrine hydrochloride)
Formula: C12H18N2O4.HCl
Molecular Weight: 290.74
Synonyms: (+/-)-1-(2,5-Dimethoxyphenyl)-2-glycinamidoethanol hydrochloride;N-[2-(2,5-Dimethoxyphenyl)-2-hydroxyethyl]glycinamide hydrochloride (1:1);2-Amino-N-(2-(2,5-dimethoxyphenyl)-2-hydroxyethyl)acetamide monohydrochloride;Acetamide, 2-amino-N-(2-(2,5-dimethoxyphenyl)-2-hydroxyethyl)-, monohydrochloride;Metligene;Alphamine;
EINECS: 256-148-3
Melting Point: 192-193 °C
Boiling Point: 529.9 °C at 760 mmHg
Flash Point: 274.3 °C
Appearance: Crystalline Solid
Hazard Symbols: ToxicT
Risk Codes: 25
Safety: 45
Transport Information: UN 2811 6.1/PG 3
PSA: 93.81000
LogP: 1.70530
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    Midodrine hydrochloride

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Specification

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%.

Midodrine hydrochloride can be used to produce {[2-(2,5-dimethoxy-phenyl)-2-hydroxy-ethylcarbamoyl]-methyl}-carbamic acid ethyl ester

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.