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Basic information

  • Name:
  • 4H-1,3-Thiazin-2-amine,N-(2,6-dimethylphenyl)-5,6-dihydro-

  • Superlist Name:
  • Xylazine
  • CAS No.:
  • 7361-61-7

  • Molecular Structure:
  • Formula:
  • C12H16N2S
  • Molecular Weight:
  • 220.36
  • Synonyms:
  • 4H-1,3-Thiazine,5,6-dihydro-2-(2,6-xylidino)- (7CI,8CI);2-(2,6-Dimethylphenylamino)-5,6-dihydro-4H-1,3-thiazine;Anased;BAY 1470;Primazine;Sedomin;Wh 7286;
  • EINECS:
  • 230-902-1
  • Density:
  • 1.15 g/cm3
  • Melting Point:
  • 140 °C
  • Boiling Point:
  • 334.2 °C at 760 mmHg
  • Flash Point:
  • 155.9 °C
  • Hazard Symbols:
  • ToxicT,IrritantXi
  • Risk Codes:
  • 25-36/37/38
  • Safety Description:
  • 45-37/39-26 Details

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Specification

The Xylazine is an organic compound with the formula C12H16N2S. The IUPAC name of this chemical is N-(2,6-dimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine. With the CAS registry number 7361-61-7, it is also named as 4H-1,3-thiazin-2-amine, N-(2,6-dimethylphenyl)-5,6-dihydro-. The product's classification codes are Adrenergic Agents; Adrenergic Agonists; Adrenergic alpha-agonists; Drug / Therapeutic Agent; Human Data; Neurotransmitter Agents.

In veterinary anesthesia, Xylazine is often used in combination with ketamine. It is a drug that is used for anesthesia, sedation, muscle relaxation, and analgesia in animals such as horses, cattle and other non-human mammals. As with other α2 agonists, adverse effects include bradycardia, conduction disturbances and myocardial depression. As an emetic, it is desirable to remove a substance from a cat's stomach.

Physical properties about Xylazine are: (1)ACD/LogP: 2.37; (2)ACD/LogD (pH 5.5): 0.59; (3)ACD/LogD (pH 7.4): 1.92; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 13.3; (6)ACD/KOC (pH 5.5): 7.74; (7)ACD/KOC (pH 7.4): 165.43; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 40.9 Å2; (12)Index of Refraction: 1.611; (13)Molar Refractivity: 66.29 cm3; (14)Molar Volume: 190.9 cm3; (15)Polarizability: 26.28×10-24cm3; (16)Surface Tension: 40.6 dyne/cm; (17)Density: 1.15 g/cm3; (18)Flash Point: 155.9 °C; (19)Enthalpy of Vaporization: 57.72 kJ/mol; (20)Boiling Point: 334.2 °C at 760 mmHg; (21)Vapour Pressure: 0.00013 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is toxic if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: N\1=C(\SCCC/1)Nc2c(cccc2C)C
(2)InChI: InChI=1/C12H16N2S/c1-9-5-3-6-10(2)11(9)14-12-13-7-4-8-15-12/h3,5-6H,4,7-8H2,1-2H3,(H,13,14)
(3)InChIKey: BPICBUSOMSTKRF-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C12H16N2S/c1-9-5-3-6-10(2)11(9)14-12-13-7-4-8-15-12/h3,5-6H,4,7-8H2,1-2H3,(H,13,14)
(5)Std. InChIKey: BPICBUSOMSTKRF-UHFFFAOYSA-N

The toxicity data is as follows:

ganism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 18mg/kg (18mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#10054,
mouse LD50 oral 240mg/kg (240mg/kg)   Deutsche Tieraerztliche Wochenschrift. Vol. 75, Pg. 565, 1968.
mouse LD50 subcutaneous 121mg/kg (121mg/kg)   Deutsche Tieraerztliche Wochenschrift. Vol. 75, Pg. 565, 1968.
rat LD50 oral 130mg/kg (130mg/kg)   Deutsche Tieraerztliche Wochenschrift. Vol. 75, Pg. 565, 1968.
women TDLo intramuscular 734ug/kg (0.734mg/kg) SENSE ORGANS AND SPECIAL SENSES: MIOSIS (PUPILLARY CONSTRICTION): EYE

CARDIAC: PULSE RATE

VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION
American Journal of Emergency Medicine. Vol. 4, Pg. 222, 1986.
women TDLo intramuscular 22mg/kg (22mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

CARDIAC: PULSE RATE

LUNGS, THORAX, OR RESPIRATION: PLEURAL THICKENING
American Journal of Emergency Medicine. Vol. 4, Pg. 222, 1986.
women TDLo oral 8mg/kg (8mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

CARDIAC: PULSE RATE
Clinical Toxicology. Vol. 18, Pg. 663, 1981.

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