Ethyl 3-(2-(((4-carbamimidoylphenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate 4-methylbenzenesulfonate（CAS番号：872728-85-3）

Ethyl 3-(2-(((4-carbamimidoylphenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate 4-methylbenzenesulfonate

基本情報

編集器で閲覧

CAS番号

872728-85-3

分子式

C34H37N7O6S

分子量

671.78 g/mol

化学分類

基礎化学原料有機化学品カルボン酸類

基礎化学原料有機化学品エステル類

基礎化学原料有機化学品エーテル類

基礎化学原料有機化学品アミン類

基礎化学原料有機化学品複素環化合物

医薬化学品医薬中間体複素環中間体

精密化学品染料および顔料有機染料

精密化学品界面活性剤アニオン性界面活性剤

実験室化学品研究用化学品生化学試薬

基本的な物理特性

SMILES

編集器で閲覧

O=C(OCC)CCN(C1=NC=CC=C1)C(C2=CC=C3N(C)C(CNC4=CC=C(C(N)=N)C=C4)=NC3=C2)=O.O=S(C5=CC=C(C)C=C5)(O)=O

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)

InChIKey

WENRCCRZLDFCGF-UHFFFAOYSA-N

LogP

4.706190000000003

トポロジカル極性表面積

193.58999999999997 Å²

水素結合ドナー/アクセプター

5 / 13

複雑度

994

同義語と引用データ

英語

n-((2-(((4-(aminoiminomethyl)phenyl)amino)methyl)-1-methyl-1h-benzimidazol-5-yl)arbonyl)-n-2-pyridinyl-beta-alanine ethyl ester 4-methylbenzenesulfonate
Dabigatran ethyl ester tosylate
N-[[2-[[[4-(Aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]arbonyl]-N-2-pyridin
N-[[2-[[[4-(AMINOIMINOMETHYL)PHENYL]AMINO]METHYL]-1-METHYL-1H-BENZIMIDAZOL-5-YL]ARBONYL]-N-2-PYRIDINYL-BETA-ALANINE ETH...
N-[[2-[[[4-(Aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]arbonyl]-N-2-pyridinyl-beta-alanine ethyl ester 4-methylbenzenesulfonate
1-methyl-2-[N-[4-amidinophenyl]aminomethyl]benzimidazol-5-yl-carboxylicacid-N-(2-pyridyl)-N-(2-ethoxycarbonylethyl)amide para-toluene sulfonate
1-methyl-2-[N-[4-amidinophenyl]aminomethyl]benzimidazole-5-carboxylic acid N-(2-pyridyl)-N-(2-ethoxycarbonylethyl)amide tosylate
ethyl 3-(2-(((4-carbamimidoylphenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate 4-methylbenzenesulfonate
Ethyl 3-(((2R,3S,4R)-1-(2-(((4-carbamimidoylphenyl)amino)methyl)-1-methyl-1H-benzo[d]imidazol-5-yl)-2,3,4,5-tetrahydroxypentyl)(pyridin-2-yl)amino)propanoate 4
N-[[2-[[[4-(Aminoiminomethyl
β-Alanine, N-[[2-[[[4-(aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-, ethyl ester, mono(4-methylbenzenesulfonate) (9CI)
1-Methyl-2-[N-(4-amidinophenyl)aminomethyl]benzimidazole-5-carboxylic acid N-(2-pyridyl)-N-[2-(ethoxycarbonyl)ethyl]amide tosylate
N-[2-(Ethoxycarbonyl)ethyl]-N-(2-pyridyl)-1-methyl-2-[N-(4-amidinophenyl)aminomethyl]benzimidazole-5-carboxamide tosylate