![EthanediaMide, N1-(5-chloro-2-pyridinyl)-N2-[(1S,2R,4R)-4-[(diMethylaMino)carbonyl]-2-[[(4,5,6,7-tetrahydro-5-Methylthiazolo[5,4-c]pyridin-2-yl)carbonyl]aMino]cyclohexyl]- structure, CAS 1255529-26-0](/structures/180000/176005_1_1255529_26_0.png)
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 1255529-26-0 |
| Catalog No. | 2A-4175577 |
| Chinese Name | 4-epi-依度沙班 |
| Synonyms | 4-epi-Edoxaban |
| Molecular Formula | C24H30ClN7O4S |
| Molecular Weight | 720.26 |
| Purity | ≥98 (HPLC) |
| Density | 1.43±0.1 g/cm3 |
| Appearance | powder |
| Water Solubility | Practically insoluble (0.017 g/L) (25 ºC) |
| MDL Number | MFCD16038915 |
| SMILES | O=C(C(NC1=CC=C(Cl)C=N1)=O)N[C@H]2CC[C@H](C(N(C)C)=O)C[C@H]2NC(C3=NC4=C(S3)CN(C)CC4)=O.CC5=CC=C(C=C5)S(=O)(O)=O |
| InChI | 1S/C24H30ClN7O4S.C7H8O3S/c1-31(2)24(36)13-4-6-15(27-20(33)21(34)30-19-7-5-14(25)11-26-19)17(10-13)28-22(35)23-29-16-8-9-32(3)12-18(16)37-23;1-6-2-4-7(5-3-6)11(8,9)10/h5,7,11,13,15,17H,4,6,8-10,12H2,1-3H3,(H,27,33)(H,28,35)(H,26,30,34);2-5H,1H3,(H,8,9,10)/t13-,15-,17+;/m0./s1 |
| InChI Key | ZLFZITWZOYXXAW-QXXZOGQOSA-N |
| NACRES Code | NA.77 |
| UNSPSC | 12352200 |
| Transport Info | Product name: Edoxaban Impurity G (SRR) |
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