Azilsartan dimer impurity | 同定情報

01同定情報

LazyChem ID	LC-07415
CAS RN	1417576-02-3
PubChem CID	136259394
分子式	C55H42N8O13
分子量	1022.98 g/mol
IUPAC 名	(2-oxo-1,3-dioxole-4,5-diyl)bis(methylene) bis(2-ethoxy-1-((2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)-[1,1'-biphenyl]-4-yl)methyl)-1H-benzo[d]imidazole-7-carboxylate)
InChIKey	BLFHQCVBQGQMOZ-UHFFFAOYSA-N

分子式	C55H42N8O13
InChIKey	BLFHQCVBQGQMOZ-UHFFFAOYSA-N
環数	11
定義済み立体中心	0
未指定立体中心	0

SMILES	CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NOC(=O)N5)C(=O)OCC6=C(OC(=O)O6)COC(=O)C7=C8C(=CC=C7)N=C(N8CC9=CC=C(C=C9)C1=CC=CC=C1C1=NOC(=O)N1)OCC
InChI	InChI=1S/C55H42N8O13/c1-3-69-51-56-41-17-9-15-39(45(41)62(51)27-31-19-23-33(24-20-31)35-11-5-7-13-37(35)47-58-53(66)75-60-47)49(64)71-29-43-44(74-55(68)73-43)30-72-50(65)40-16-10-18-42-46(40)63(52(57-42)70-4-2)28-32-21-25-34(26-22-32)36-12-6-8-14-38(36)48-59-54(67)76-61-48/h5-26H,3-4,27-30H2,1-2H3,(H,58,60,66)(H,59,61,67)

公開識別子との比較は正確な化合物のみを対象とします。規制判断の前に現行の公式文書を確認してください。

Azilsartan

Azilsartan Impurity 9
(2-Oxo-1,3-dioxole-4,5-diyl)bis(methylene) bis(2-ethoxy-1-((2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)-[1,1'-biphenyl]-4-yl)methyl)-1H-benzo[d]imidazole-7-carboxylate)
UNII-XP35RSC4UN
1H-Benzimidazole-7-carboxylic acid, 1-((2'-(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)(1,1'-biphenyl)-4-yl)methyl)-2-ethoxy-, 7,7'-((2-oxo-1,3-dioxole-4,5-diyl)bis(methylene)) ester
(2-Oxo-1,3-dioxole-4,5-diyl)bis(methylene) bis(2-ethoxy-1-((2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)-[1,1'-biphenyl]-4-yl)methyl)-1H-benzo[d]imidazole-7-carboxylate)(>90%)
[5-[[2-ethoxy-3-[[4-[2-(5-oxo-2H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]benzimidazole-4-carbonyl]oxymethyl]-2-oxo-1,3-dioxol-4-yl]methyl 2-ethoxy-3-[[4-[2-(5-oxo-2H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate
7,7'-[(2-Oxo-1,3-dioxole-4,5-diyl)bis(methylene)] bis[1-[[2'-(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]methyl]-2-ethoxy-1H-benzimidazole-7-carboxylate]