Name: N-[2-Ethoxy-1-[[2'-[(hydroxyamino)methyl][1,1'-biphenyl]-4-yl]methyl]-1H-benzimidazole-7-carboxylic Acid Methyl Ester]carbamic Acid 2-Ethylhexyl Ester-[d5]
Brand: BOC Sciences
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General Information

Catalog: BLP-013723

CAS: 1795131-16-6

Molecular Formula: C34H35D5N4O6

Molecular Weight: 605.74

Chemical Structure

N-[2-Ethoxy-1-[[2'-[(hydroxyamino)methyl][1,1'-biphenyl]-4-yl]methyl]-1H-benzimidazole-7-carboxylic Acid Methyl Ester]carbamic Acid 2-Ethylhexyl Ester-[d5]

Description	N-[2-Ethoxy-1-[[2'-[(hydroxyamino)methyl][1,1'-biphenyl]-4-yl]methyl]-1H-benzimidazole-7-carboxylic Acid Methyl Ester]carbamic Acid 2-Ethylhexyl Ester-[d5] is the labelled analogue of N-[2-Ethoxy-1-[[2'-[(hydroxyamino)methyl][1,1'-biphenyl]-4-yl]methyl]-1H-benzimidazole-7-carboxylic Acid Methyl Ester]carbamic Acid 2-Ethylhexyl Ester, which is an intermediate of Azilsartan.
Synonyms	N-[2-Ethoxy-d5-1-[[2'-[(hydroxyamino)methyl][1,1'-biphenyl]-4-yl]methyl]-1H-benzimidazole-7-carboxylic Acid Methyl Ester]carbamic Acid 2-Ethylhexyl Ester
IUPAC Name	methyl 3-[[4-[2-[(Z)-N-(2-ethylhexoxycarbonyl)-N'-hydroxycarbamimidoyl]phenyl]phenyl]methyl]-2-(1,1,2,2,2-pentadeuterioethoxy)benzimidazole-4-carboxylate
Related CAS	1798394-98-5 (unlabelled)
Canonical SMILES	CCCCC(CC)COC(=O)NC(=NO)C1=CC=CC=C1C2=CC=C(C=C2)CN3C4=C(C=CC=C4N=C3OCC)C(=O)OC
InChI	InChI=1S/C34H40N4O6/c1-5-8-12-23(6-2)22-44-34(40)36-31(37-41)27-14-10-9-13-26(27)25-19-17-24(18-20-25)21-38-30-28(32(39)42-4)15-11-16-29(30)35-33(38)43-7-3/h9-11,13-20,23,41H,5-8,12,21-22H2,1-4H3,(H,36,37,40)/i3D3,7D2
InChI Key	ZOGAICCHSUSCBX-BBWXTLFWSA-N
Purity	99% by HPLC
Solubility	Soluble in Dichloromethane