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Methoxamine hydrochloride

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Name

Methoxamine hydrochloride

EINECS 200-499-7
CAS No. 61-16-5 Density N/A
PSA 64.71000 LogP 2.58670
Solubility N/A Melting Point 215℃
Formula C11H17NO3.ClH Boiling Point 368.4 °C at 760 mmHg
Molecular Weight 247.722 Flash Point 176.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 61-16-5 (METHOXAMINE HYDROCHLORIDE) Hazard Symbols N/A
Synonyms

Benzenemethanol,a-(1-aminoethyl)-2,5-dimethoxy-,hydrochloride (9CI);Methoxamine hydrochloride (6CI);2-Amino-1-(2,5-dimethoxyphenyl)-1-propanolhydrochloride;2-Amino-1-hydroxy-1-(2,5-dimethoxyphenyl)propane hydrochloride;Beta-hydroxy-beta-(2,5-dimethoxyphenol)-isopropylamine hydrochloride;Pressominhydrochloride;Vasoxine;Vasoxyl;a-(a-Aminoethyl)-2,5-dimethoxybenzylalcohol hydrochloride;b-Hydroxy-b-(2,5-dimethoxyphenyl)isopropylaminehydrochloride;

 

Methoxamine hydrochloride Specification

The Methoxamine hydrochloride with CAS registry number of 61-16-5 is also called Benzenemethanol,a-(1-aminoethyl)-2,5-dimethoxy-,hydrochloride(1:1). The IUPAC name is 2-amino-1-(2,5-dimethoxyphenyl)propan-1-ol hydrochloride. Its EINECS registry number is 200-499-7. In addition, the molecular formula is C11H17NO3.ClH and the molecular weight is 247.72. It is an alpha-adrenergic agonist that causes prolonged peripheral vasoconstriction.

Physical properties about Methoxamine hydrochloride are: (1)ACD/LogP: 0.69 ; (2)ACD/LogD (pH 5.5): -2.3; (3)ACD/LogD (pH 7.4): -1.02; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1.1; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 30.93 Å2; (12)Flash Point: 176.6 °C; (13)Enthalpy of Vaporization: 64.88 kJ/mol; (14)Boiling Point: 368.4 °C at 760 mmHg; (15)Vapour Pressure: 4.47E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O(c1ccc(OC)cc1C(O)C(N)C)C
(2)InChI: InChI=1/C11H17NO3.ClH/c1-7(12)11(13)9-6-8(14-2)4-5-10(9)15-3;/h4-7,11,13H,12H2,1-3H3;1H
(3)InChIKey: YGRFXPCHZBRUKP-UHFFFAOYAI

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 92mg/kg (92mg/kg) SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
Journal of Pharmacology and Experimental Therapeutics. Vol. 92, Pg. 283, 1948.
mouse LD50 intravenous 5030ug/kg (5.03mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
European Journal of Pharmacology. Vol. 9, Pg. 289, 1970.
mouse LDLo oral 135mg/kg (135mg/kg)   "Drug Dosages in Laboratory Animals - A Handbook," Rev. ed., Barnes, C.D., and L.G. Eltherington, Berkeley, Univ. of California Press, 1973Vol. -, Pg. 160, 1973.

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