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1-Methyl-5-nitro-1H-benzimidazole-2-butanoic Acid Ethyl Ester-[d3]

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1-Methyl-5-nitro-1H-benzimidazole-2-butanoic Acid Ethyl Ester-[d3]

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General Information
Catalog: BLP-006550
CAS: 1286893-94-4
Molecular Formula: C14H14D3N3O4
Molecular Weight: 294.32

Chemical Structure

Description	1-Methyl-5-nitro-1H-benzimidazole-2-butanoic Acid Ethyl Ester-[d3] is the labelled analogue of 1-Methyl-5-nitro-1H-benzimidazole-2-butanoic Acid Ethyl Ester, which is an intermediate of Bendamustine.
Synonyms	1-Methyl-5-nitro-1H-benzimidazole-2-butanoic Acid Ethyl Ester D3; ethyl 4-(1-methyl-5-nitro-1H-benzo[d]imidazol-2-yl)butanoate-d3; ethyl 4-(1-methyl-5-nitrobenzimidazol-2-yl)butanoate-d3; 1-Methyl-5-nitro-2-benzimidazolebutyric Acid Ethyl Ester-d3
IUPAC Name	ethyl 4-[5-nitro-1-(trideuteriomethyl)benzimidazol-2-yl]butanoate
Related CAS	3543-72-4 (unlabelled)
Canonical SMILES	CCOC(=O)CCCC1=NC2=C(N1C)C=CC(=C2)[N+](=O)[O-]
InChI	InChI=1S/C14H17N3O4/c1-3-21-14(18)6-4-5-13-15-11-9-10(17(19)20)7-8-12(11)16(13)2/h7-9H,3-6H2,1-2H3/i2D3
InChI Key	VJVBGSJZBDBEIF-BMSJAHLVSA-N
Purity	>98%
Solubility	Soluble in Chloroform, Dichloromethane, Dimethylformamide, Methanol
Appearance	Light Brown Solid