Cas no 1354727-65-3 (Dabigatran impurity E)
Dabigatran impurity E structure
Product Name:Dabigatran impurity E
CAS No:1354727-65-3
MF:C29H33ClN6O4
MW:565.063125371933
CID:3164490
PubChem ID:56602734
Update Time:2025-04-21
Dabigatran impurity E Chemical and Physical Properties
Names and Identifiers
-
- Dabigatran impurity E
- 1354727-65-3
- 632G8LQ42G
- beta-Alanine, N-[[2-[[[4-(ethoxyiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-, ethyl ester, hydrochloride (1:1)
- Ethyl 3-(2-(((4-(ethoxy(imino)methyl)phenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate hydrochloride
-
- Inchi： 1S/C29H32N6O4.ClH/c1-4-38-27(36)15-17-35(25-8-6-7-16-31-25)29(37)21-11-14-24-23(18-21)33-26(34(24)3)19-32-22-12-9-20(10-13-22)28(30)39-5-2;/h6-14,16,18,30,32H,4-5,15,17,19H2,1-3H3;1H
- InChI Key： HTAFHLMLXVRHFJ-UHFFFAOYSA-N
- SMILES： Cl.O=C(C1C=CC2=C(C=1)N=C(CNC1C=CC(C(=N)OCC)=CC=1)N2C)N(C1C=CC=CN=1)CCC(=O)OCC
Computed Properties
- Exact Mass: 564.2251812Da
- Monoisotopic Mass: 564.2251812Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 40
- Rotatable Bond Count: 13
- Complexity: 820
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 122?2
Dabigatran impurity E Related Literature
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
1354727-65-3 (Dabigatran impurity E) Related Products
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
- 1449132-38-0(3-Fluoro-5-(2-fluoro-5-methylbenzylcarbamoyl)benzeneboronic acid)
- 2034271-14-0(2-(1H-indol-3-yl)-N-{[6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}acetamide)
Recommended suppliers
Amadis Chemical Company Limited
Gold Member
Audited Supplier
CN Supplier
Reagent
Suzhou Genelee Bio-Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Jinta Yudi Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Wuhan Comings Biotechnology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Wuhan ChemNorm Biotech Co.,Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
