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[1-Methyl-5-bis(2'-hydroxyethyl)aminobenzimidazolyl-2]butanoic Acid Ethyl Ester-[d3]

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General Information
Catalog: BLP-006203
CAS: 1286887-71-5
Molecular Formula: C18H24D3N3O4
Molecular Weight: 352.44

Chemical Structure

Description	[1-Methyl-5-bis(2'-hydroxyethyl)aminobenzimidazolyl-2]butanoic Acid Ethyl Ester-[d3] is the labelled analogue of [1-Methyl-5-bis(2'-hydroxyethyl)aminobenzimidazolyl-2]butanoic Acid Ethyl Ester, which is an impurity of Bendamustine.
Synonyms	[1-Methyl-5-bis(2'-hydroxyethyl)aminobenzimidazolyl-2]butanoic Acid Ethyl Ester-d3; 5-[Bis(2-hydroxyethyl)amino]-1-methyl-1H-benzimidazole-2-butanoic Acid Ethyl Ester-d3; 5-[Bis(2-hydroxyethyl)amino]-1-methyl-2-benzimidazolebutyric Acid Ethyl Ester-d3; Bendamustine Related Impurity 1-d3
IUPAC Name	ethyl 4-[5-[bis(2-hydroxyethyl)amino]-1-(trideuteriomethyl)benzimidazol-2-yl]butanoate
Related CAS	3543-74-6 (unlabelled)
Canonical SMILES	CCOC(=O)CCCC1=NC2=C(N1C)C=CC(=C2)N(CCO)CCO
InChI	InChI=1S/C18H27N3O4/c1-3-25-18(24)6-4-5-17-19-15-13-14(7-8-16(15)20(17)2)21(9-11-22)10-12-23/h7-8,13,22-23H,3-6,9-12H2,1-2H3/i2D3
InChI Key	SJYOJVBTSZGDQH-BMSJAHLVSA-N
Melting Point	102-105°C
Purity	≥95%
Solubility	Soluble in Chloroform, Dichloromethane, Methanol
Appearance	Off-white to Light Tan Solid
Storage	Store at -20°C under inert atmosphere