Name: [1-Methyl-5-bis(2'-hydroxyethyl)aminobenzimidazolyl-2]butanoic Acid Methyl Ester-[d5]
Brand: BOC Sciences
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General Information

Catalog: BLP-006197

CAS: 1276499-54-7

Molecular Formula: C17H20D5N3O4

Molecular Weight: 340.43

Chemical Structure

Description	[1-Methyl-5-bis(2'-hydroxyethyl)aminobenzimidazolyl-2]butanoic Acid Methyl Ester-[d5] is the labelled analogue of [1-Methyl-5-bis(2'-hydroxyethyl)aminobenzimidazolyl-2]butanoic Acid Methyl Ester, which is an intermediate in the preparation of Bendamustine.
Synonyms	[1-Methyl-5-bis(2'-hydroxyethyl)aminobenzimidazolyl-2]butanoic Acid Methyl Ester-d5; 5-[Bis(2-hydroxyethyl)amino]-1-methyl-1H-benzimidazole-2-butanoic Acid Methyl Ester-d5; 5-[Bis(2-hydroxyethyl)amino]-1-methyl-2-benzimidazolebutyric Acid Methyl Ester-d5
IUPAC Name	methyl 4-[5-[bis(2-hydroxyethyl)amino]-1-(trideuteriomethyl)benzimidazol-2-yl]-2,2-dideuteriobutanoate
Related CAS	109882-31-7 (unlabelled)
Canonical SMILES	CN1C2=C(C=C(C=C2)N(CCO)CCO)N=C1CCCC(=O)OC
InChI	InChI=1S/C17H25N3O4/c1-19-15-7-6-13(20(8-10-21)9-11-22)12-14(15)18-16(19)4-3-5-17(23)24-2/h6-7,12,21-22H,3-5,8-11H2,1-2H3/i1D3,5D2
InChI Key	ZDEVXMCROBCROW-RPIBLTHZSA-N
Solubility	Soluble in Chloroform, Dichloromethane, Methanol
Appearance	Pale Brown Solid