N-(2,6-dimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine hydrochloride

• ChemBase ID: 105061
• Molecular Formular: C12H17ClN2S
• Molecular Mass: 256.79478
• Monoisotopic Mass: 256.08009723
• SMILES: Cl.Cc1cccc(C)c1NC1=NCCCS1
• Canonical SMILES: Cc1cccc(c1NC1=NCCCS1)C.Cl
• InChI: InChI=1S/C12H16N2S.ClH/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);1H
• InChIKey: QYEFBJRXKKSABU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,6-dimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine hydrochloride
• IUPAC Traditional name: xylazine hydrochloride
• Synonyms: 2-(2,6-Dimethylphenylamino)-5,6-dihydro-4H-thiazine hydrochloride; N-(2,6-Dimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine Hydrochloride; 5,6-Dihydro-2-(2,6-xylidino)-4H-1,3-thiazine Hydrochloride; 2-(2,6-Dimethylphenylamino)-5,6-dihydro-4H-1,3-thiazine Hydrochloride; BAY-Va 1470; Celactal; Narcosyl; Rompun; Xylapan; Xylasol; 2-[2,6-Dimethylphenylamino]-4H-5,6-dihydroxthiazine; XYLAZINE HYDROCHLORIDE; Xylazine hydrochloride; 2-(2,6-二甲基苯基)-5,6-二氢-4H-噻嗪-胺 盐酸盐; 甲苯噻嗪 盐酸盐

Database IDs

• CAS Number: 23076-35-9
• EC Number: 245-417-0
• MDL Number: MFCD00058196
• Beilstein Number: 6448471
• PubChem SID: 24870626; 162092249; 24277813
• PubChem CID: 68554

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.2197268
• LogD (pH = 7.4): 3.5036612
• Log P: 3.632714
• Molar Refractivity: 68.8221 cm^3
• Polarizability: 25.45402 Å^3
• Polar Surface Area: 24.39 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; Methanol
• Apperance: Off-White Solid
• Melting Point: 150-164°C (dec.)

Safety Information

• Storage Condition: -20°C Freezer; Room Temperature (15-30°C)
• RTECS: XJ0776350
• European Hazard Symbols: Toxic (T)
• UN Number: 2810
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 25-36/37/38
• Safety Statements: 26-45
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301 + P310-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2810 6.1/PG 3
• Storage Temperature: -20°C; 2-8°C

Pharmacology Properties

• Gene Information: human ... ADRA2A(150), ADRA2B(151), ADRA2C(152)

Product Information

• Purity: ≥99%
• Grade: VETRANAL™, analytical standard
• Empirical Formula (Hill Notation): C12H16N2S · HCl

DETAILS

MP Biomedicals - 02158307

Hydrochloride

Sigma Aldrich - X1251

Biochem/physiol Actions
α2-肾上腺素受体激动剂、镇静剂、肌肉松弛剂。

Sigma Aldrich - 46995

Biochem/physiol Actions
α2-Adrenergic receptor agonist, sedative, muscle relaxant.
Legal Information
VETRANAL is a trademark of Sigma-Aldrich Co. LLC

Toronto Research Chemicals - X748000

Xylazine is used as a sedative, analgesic, muscle relaxant.

REFERENCES

• Hikasa, Y., et al.: J. Pharmacol. Exp. Ther., 261, 746 (1964)
• Arce, V., et al.: Brain Res., 537, 359 (1964)
• Pernikoff, M., et al.: Clin. Med., 71, 699 (1964)
• Burns, M., et al.: Vet. Med., 67, 77 (1964)