CAS 872728-85-3: Dabigatran ethyl ester tosylate

Formule : C₂₇H₂₉N₇O₃·C₇H₈O₃S

InChI : InChI=1S/C27H29N7O3.C7H8O3S/c1-3-37-25(35)13-15-34(23-6-4-5-14-30-23)27(36)19-9-12-22-21(16-19)32-24(33(22)2)17-31-20-10-7-18(8-11-20)26(28)29;1-6-2-4-7(5-3-6)11(8,9)10/h4-12,14,16,31H,3,13,15,17H2,1-2H3,(H3,28,29);2-5H,1H3,(H,8,9,10)

Code InChI : InChIKey=WENRCCRZLDFCGF-UHFFFAOYSA-N

SMILES : O=C(OCC)CCN(C(=O)C=1C=CC2=C(N=C(N2C)CNC3=CC=C(C=C3)C(=N)N)C1)C4=NC=CC=C4.O=S(=O)(O)C1=CC=C(C=C1)C

Synonymes :

• Dabigatran ethyl ester tosylate
• 1-Methyl-2-[N-(4-amidinophenyl)aminomethyl]benzimidazole-5-carboxylic acid N-(2-pyridyl)-N-[2-(ethoxycarbonyl)ethyl]amide tosylate
• β-Alanine, N-[[2-[[[4-(aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-, ethyl ester, 4-methylbenzenesulfonate (1:1)
• β-Alanine, N-[[2-[[[4-(aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-, ethyl ester, mono(4-methylbenzenesulfonate)
• N-[2-(Ethoxycarbonyl)ethyl]-N-(2-pyridyl)-1-methyl-2-[N-(4-amidinophenyl)aminomethyl]benzimidazole-5-carboxamide tosylate

Dabigatran etexilate impurity B CRS

CAS : 872728-85-3

Dabigatran Etexilate Related Compound B (Ethyl 3-(2-(((4-carbamimidoylphenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzimidazole-5-carboxamido)propanoate 4-toluenesulfonate)

CAS : 872728-85-3

Compounds containing an unfused pyridine ring in the structure, nesoi

• Formule : C₂₇H₂₉N₇O₃·C₇H₈O₃S
• Couleur et forme : White Yellow Powder
• Masse moléculaire : 671.2526

N-[[2-[[[4-(Aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]arbonyl]-N-2-pyridinyl-β-alanine ethyl ester 4-me thylbenzenesulfonate

CAS : 872728-85-3

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• Formule : C₃₄H₃₇N₇O₆S
• Degré de pureté : Min. 95%
• Masse moléculaire : 671.8 g/mol