![ETHYL 3-(2-(((4-CARBAMIMIDOYLPHENYL)AMINO)METHYL)-1-METHYL-N-(PYRIDIN-2-YL)-1H-BENZO[D]IMIDAZOLE-5-CARBOXAMIDO)PROPANOATE structure, CAS 429658-95-7](/structures/180000/153898_2_429658_95_7.png)
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 429658-95-7 |
| Catalog No. | 2A-0153898 |
| Chinese Name | N-[[2-[[[4-(氨基亚胺甲基)苯基]氨基]甲基]-1-甲基-1H-苯并咪唑-5-基]羰基]-N-2-吡啶基-beta-丙氨酸乙酯 |
| Synonyms | Dabigatran ethyl AcOH Salt; C24; Dabigatran ethyl ester; Dabigatran (ethyl ester) |
| Molecular Formula | C27H29N7O3 |
| Molecular Weight | 499.564 |
| Purity | 96+ |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 759.5±70.0 °C at 760 mmHg |
| Storage Condition | 2-8℃ |
| Application | Dabigatran (ethyl ester) is a new oral anticoagulant compound and thrombin inhibitor. |
| EINECS | 0 |
| HTC | 0 |
| UN(IATA) | 0 |
| PubChem ID | 824677 |
| SMILES | CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc(CNc1ccc(C(=N)N)cc1)n2C)c1ccccn1 |
| 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) |
| InChI Key | BGLLICFSSKPUMR-UHFFFAOYSA-N |
| Transport Info | Product name: Dabigatran (ethyl ester) |
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| ETHYL 3-(1-METHYL-2-(((4-(5-OXO-4,5-DIHYDRO-1,2,4-OXADIAZOL-3-YL)PHENYL)AMINO)METHYL)-N-(PYRIDIN-2-YL)-1H-BENZO[D]IMIDAZOLE-5-CARBOXAMIDO)PROPANOATE | 872728-84-2 | 2A-0153884 |
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| ETHYL 3-(4-BROMOPHENYL)-1,2,4-OXADIAZOLE-5-CARBOXYLATE | 861146-12-5 | 2A-0153942 |
| ETHYL 3-(4-CHLOROPHENYL)-1,2,4-OXADIAZOLE-5-CARBOXYLATE | 163719-69-5 | 2A-0153945 |
| ETHYL 3-(4-FLUOROPHENYL)-1,2,4-OXADIAZOLE-5-CARBOXYLATE | 163719-81-1 | 2A-0153948 |
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