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3-Carboxy Detomidine-[13C,15N2]

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General Information
Catalog: BLP-012848
CAS: 1346605-14-8
Molecular Formula: C11[13C]H12[15N]2O2
Molecular Weight: 219.22

Chemical Structure

Description	3-Carboxy Detomidine-[13C,15N2] is the labelled analogue of 3-Carboxy Detomidine, which is the major metabolite of Detomidine. Detomidine is an α2-adrenergic agonist used as a large animal sedative.
Synonyms	3-Carboxy Detomidine-13C,15N2; 3-(1H-Imidazol-5-ylmethyl)-2-methylbenzoic Acid-13C,15N2; Detomidine carboxylic acid-13C,15N2; Detomidine 3-carboxylic acid-13C,15N2
IUPAC Name	3-((2-13C,1,3-15N2)1H-imidazol-5-ylmethyl)-2-methylbenzoic acid
Related CAS	115664-39-6 (unlabelled)
Canonical SMILES	CC1=C(C=CC=C1C(=O)O)CC2=CN=CN2
InChI	InChI=1S/C12H12N2O2/c1-8-9(5-10-6-13-7-14-10)3-2-4-11(8)12(15)16/h2-4,6-7H,5H2,1H3,(H,13,14)(H,15,16)/i7+1,13+1,14+1
InChI Key	UYLYCKVCJPJDEL-BRALYQIWSA-N
Purity	>95%
Solubility	Soluble in DMSO (Slightly, Heated)
Appearance	White Solid
Storage	Store at 2-8°C