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Metaraminol bitartrate

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Name

Metaraminol bitartrate

EINECS 251-502-3
CAS No. 33402-03-8 Density N/A
PSA 181.54000 LogP -0.64950
Solubility N/A Melting Point 176-177°
Formula C9H13NO2.C4H6O6 Boiling Point 357.9 °C at 760 mmHg
Molecular Weight 317.29 Flash Point 170.3 °C
Transport Information UN 2811 6.1/PG 3 Appearance Colourless solid
Safety 26-28-36/37/39-45 Risk Codes 23/24/25
Molecular Structure Molecular Structure of 33402-03-8 (Metaraminol bitartrate) Hazard Symbols ToxicT
Synonyms

Aramine;Benzyl alcohol, α-(1-aminoethyl)-m-hydroxy-, (-)-, tartrate (1:1) (salt) (8CI);3-[(1R,2S)-2-amino-1-hydroxy-propyl]phenol; (2R,3R)-2,3-dihydroxybutanedioic acid;Benzenemethanol,R-[(1S)-1-aminoethyl]-3- hydroxy-,(RR)-,(2R,3R)-2,3-dihydroxybutanedioate (1:1) (salt);Benzenemethanol, α-[(1S)-1-aminoethyl]-3-hydroxy-, (αR)-, (2R,3R)-2,3-dihydroxybutanedioate (1:1);

 

Metaraminol bitartrate Synthetic route

33402-03-8

metaraminol hydrogen (+)-tartrate

A

124201-42-9

4-<125I>iodometaraminol

B

124201-41-8

6-<125I>iodometaraminol

Conditions
ConditionsYield
With sodium hydroxide; potassium phosphate buffer; sodium (¹²⁵I)iodide; chloroamine-T for 0.0833333h; Ambient temperature; ph = 6.75; Yield given. Yields of byproduct given;
With sodium hydroxide; potassium phosphate buffer; sodium (¹²⁵I)iodide; chloroamine-T for 0.0833333h; Ambient temperature; pH = 6.75; Yield given. Yields of byproduct given;
33402-03-8

metaraminol hydrogen (+)-tartrate

124201-36-1

5-(2-Amino-1-hydroxy-propyl)-2-iodo-phenol

Conditions
ConditionsYield
With ammonium hydroxide; iodine In ethanol for 18h;

Metaraminol bitartrate Specification

The Metaraminol bitartrate, with the CAS registry number 33402-03-8, is also known as Benzenemethanol, α-[(1S)-1-aminoethyl]-3-hydroxy-, (αR)-, (2R,3R)-2,3-dihydroxybutanedioate (1:1). Its EINECS number is 251-502-3. This chemical's molecular formula is C9H13NO2.C4H6O6 and molecular weight is 317.29. What's more, its systematic name is 3-[(1R,2S)-2-amino-1-hydroxy-propyl]phenol; (2R,3R)-2,3-dihydroxybutanedioic acid. Its classification codes are: (1)Adrenergic; (2)Diagnostic aid [paramagnetic]; (3)Drug / Therapeutic Agent.

Physical properties of Metaraminol bitartrate are: (1)ACD/LogP: 0.072; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 4; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 21.7 Å2; (7)Flash Point: 170.3 °C; (8)Enthalpy of Vaporization: 63.66 kJ/mol; (9)Boiling Point: 357.9 °C at 760 mmHg; (10)Vapour Pressure: 9.58E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is toxic by inhalation, in contact with skin and if swallowed. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection. After contact with skin, you must wash immediately with plenty of ... (to be specified by the manufacturer). 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: O=C(O)C(O)C(O)C(=O)O.O[C@H](c1cc(O)ccc1)[C@@H](N)C
(2)Std. InChI: InChI=1S/C9H13NO2.C4H6O6/c1-6(10)9(12)7-3-2-4-8(11)5-7;5-1(3(7)8)2(6)4(9)10/h2-6,9,11-12H,10H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t6-,9-;/m0./s1
(3)Std. InChIKey: VENXSELNXQXCNT-YDYUUSCQSA-N

The toxicity data is as follows:  

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 680mg/kg (680mg/kg) GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
Toxicology and Applied Pharmacology. Vol. 15, Pg. 304, 1969.
mouse LD50 intravenous 39mg/kg (39mg/kg)   Drugs in Japan Vol. 6, Pg. 820, 1982.
mouse LD50 oral 99mg/kg (99mg/kg)   Drugs in Japan Vol. 6, Pg. 820, 1982.
rat LD50 intraperitoneal 41mg/kg (41mg/kg)   Drugs in Japan Vol. 6, Pg. 820, 1982.
rat LD50 intravenous 3427ug/kg (3.427mg/kg) VASCULAR: BP ELEVATION NOT CHARACTERIZED IN AUTONOMIC SECTION Archives Internationales de Pharmacodynamie et de Therapie. Vol. 281, Pg. 89, 1986.
rat LD50 oral 240mg/kg (240mg/kg)   Drugs in Japan Vol. 6, Pg. 820, 1982.
rat LD50 subcutaneous 117mg/kg (117mg/kg)   Drugs in Japan Vol. 6, Pg. 820, 1982.

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