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Febantel-[d6]

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General Information
Catalog: BLP-011722
CAS: 1173021-79-8
Molecular Formula: C20H16D6N4O6S
Molecular Weight: 452.51

Chemical Structure

Description	Febantel-[d6] is the labelled analogue of Febantel, which is used as an anthelmintic.
Synonyms	Febantel-D6; N-(2-Methoxyacetylamino-4-phenylsulfanylphenyl)-N',N''-bis(methoxy-D3-carbonyl)guanidine; Rintal-d6; [[2-[(Methoxyacetyl)amino]-4-(phenylthio)phenyl]carbonimidoyl]bis-carbamic Acid Dimethyl Ester-d6
IUPAC Name	trideuteriomethyl N-[N'-[2-[(2-methoxyacetyl)amino]-4-phenylsulfanylphenyl]-N-(trideuteriomethoxycarbonyl)carbamimidoyl]carbamate
Related CAS	58306-30-2 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])OC(=O)NC(=NC1=C(C=C(C=C1)SC2=CC=CC=C2)NC(=O)COC)NC(=O)OC([2H])([2H])[2H]
Canonical SMILES	COCC(=O)NC1=C(C=CC(=C1)SC2=CC=CC=C2)N=C(NC(=O)OC)NC(=O)OC
InChI	InChI=1S/C20H22N4O6S/c1-28-12-17(25)21-16-11-14(31-13-7-5-4-6-8-13)9-10-15(16)22-18(23-19(26)29-2)24-20(27)30-3/h4-11H,12H2,1-3H3,(H,21,25)(H2,22,23,24,26,27)/i2D3,3D3
InChI Key	HMCCXLBXIJMERM-XERRXZQWSA-N
Purity	95% by HPLC; 98% atom D
Solubility	Soluble in Chloroform (Sparingly)
Appearance	White Solid
Storage	Store at -20°C