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N-Acetyl Tizanidine-[d4]

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General Information
Catalog: BLP-013053
CAS: 1276602-33-5
Molecular Formula: C11H6D4ClN5OS
Molecular Weight: 299.77

Chemical Structure

Description	N-Acetyl Tizanidine-[d4] is the labelled analogue of N-Acetyl Tizanidine, which is a derivative of Tizanidine. Tizanidine is an α2 adrenergic agonist used to treat muscle spasms.
Synonyms	N-Acetyl Tizanidine D4; 1-[2-[(5-Chloro-2,1,3-benzothiadiazol-4-yl)amino]-4,5-dihydro-1H-imidazol-1-yl-d4]-ethanone; 1-Acetyl-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4,5-dihydro-1H-imidazol-d4-2-amine
IUPAC Name	1-[2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-4,4,5,5-tetradeuterioimidazol-1-yl]ethanone
Related CAS	173532-15-5 (unlabelled)
Canonical SMILES	CC(=O)N1CCN=C1NC2=C(C=CC3=NSN=C32)Cl
InChI	InChI=1S/C11H10ClN5OS/c1-6(18)17-5-4-13-11(17)14-9-7(12)2-3-8-10(9)16-19-15-8/h2-3H,4-5H2,1H3,(H,13,14)/i4D2,5D2
InChI Key	NBGDKTHDTLEUQJ-CQOLUAMGSA-N
Purity	≥99% by HPLC; 99% atom D
Solubility	Soluble in Chloroform, Dichloromethane
Appearance	Yellow Solid
Storage	Store at -20°C under inert atmosphere