CAS No.33402-03-8,Metaraminol bitartrate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	33402-03-8
Name:	Metaraminol bitartrate

Formula:	C₉H₁₃NO₂^.C₄H₆O₆
Molecular Weight:	317.29
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);
EINECS:	251-502-3
Melting Point:	176-177°
Boiling Point:	357.9 °C at 760 mmHg
Flash Point:	170.3 °C
Appearance:	Colourless solid
Hazard Symbols:	T
Risk Codes:	23/24/25
Safety:	26-28-36/37/39-45
Transport Information:	UN 2811 6.1/PG 3
PSA:	181.54000
LogP:	-0.64950

Synthetic route

: 33402-03-8
metaraminol hydrogen (+)-tartrate

A: 124201-42-9
4-<125I>iodometaraminol

B: 124201-41-8
6-<125I>iodometaraminol

Conditions

Conditions	Yield
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

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

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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.