ETHYL 3-(2-((4-CARBAMIMIDOYLPHENYLAMINO)METHYL)-1-METHYL-N-(PYRIDIN-2-YL)-1H-BENZO[D]IMIDAZOLE-5-CARBOXAMIDO)PROPANOATE

CAS号
429658-95-7
CCD编号
CCD02755460
分子式
C27 H29 N7 O3
分子量
499.572

基本信息

产品名称: ETHYL 3-(2-((4-CARBAMIMIDOYLPHENYLAMINO)METHYL)-1-METHYL-N-(PYRIDIN-2-YL)-1H-BENZO[D]IMIDAZOLE-5-CARBOXAMIDO)PROPANOATE
CAS: 429658-95-7
英文同义词: DABIGATRAN (ETHYL ESTER) ; N-[[2-[[[4-(AMINOIMINOMETHYL)PHENYL]AMINO]METHYL]-1-METHYL-1H-BENZIMIDAZOL-5-YL]ARBONYL]-N-2-PYRIDINYL-BETA-ALANINE ETHYL ESTER ; ETHYL 3-(2-((4-CARBAMIMIDOYLPHENYLAMINO)METHYL)-1-METHYL-N-(PYRIDIN-2-YL)-1H-BENZO[D]IMIDAZOLE-5-CARBOXAMIDO)PROPANOATE ; N-[[2-[[[4-(AMINOIMINOMETHYL)PHENYL]AMINO]METHYL]-1-METHYL-1H-BENZIMIDAZOL-5-YL]CARBONYL]-N-2-PYRIDINYL-BETA-ALANINE ETHYL ESTER ; BETA-ALANINE, N-[[2-[[[4-(AMINOIMINOMETHYL)PHENYL]AMINO]METHYL]-1-METHYL-1H-BENZIMIDAZOL-5-YL]CARBONYL]-N-2-PYRIDINYL-, ETHYL ESTER ; DABIGATRAN ETHYL ACOH SALT ; DABIGATRAN ETHYL ESTER
MDL号: MFCD16294325
氢键受体数量: 10
氢键供体数量: 3
Smile: CCOC(=O)CCN(c1ccccn1)C(=O)c2ccc3c(c2)nc(n3C)CNc4ccc(cc4)C(=N)N
InChi: InChI=1S/C27H29N7O3/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/h4-12,14,16,31H,3,13,15,17H2,1-2H3,(H3,28,29)
InChiKey: InChIKey=BGLLICFSSKPUMR-UHFFFAOYSA-N

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