
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 1268836-55-0 |
| Catalog No. | 2A-3184737 |
| Chinese Name | 苯甲酸阿格列汀杂质C |
| Synonyms | Exact Mass 578.239014; LogP 4.18; Index of Refraction 1.705; InChIKey JHBZCPZIKAFEEU-RUZDIDTESA-N; Synonyms |
| Molecular Formula | C31H30O4N8 |
| Molecular Weight | 578.63 |
| Density | 1.4±0.1 g/cm3 |
| Boiling Point | 767.5±70.0 °C at 760 mmHg |
| Water Solubility | Insuluble (6.9E-5 g/L) (25 ºC) |
| Storage Condition | room temperature |
| PubChem ID | 210280034 |
| MDL Number | MFCD26960553 |
| SMILES | Cn1c(=O)cc(NC2CCCN(c3cc(=O)n(C)c(=O)n3Cc3ccccc3C#N)C2)n(Cc2ccccc2C#N)c1=O |
| InChI | InChI=1S/C31H30N8O4/c1-35-28(40)14-26(38(30(35)42)18-23-10-5-3-8-21(23)16-32)34-25-12-7-13-37(20-25)27-15-29(41)36(2)31(43)39(27)19-24-11-6-4-9-22(24)17-33/h3-6,8-11,14-15,25,34H,7,12-13,18-20H2,1-2H3/t25-/m1/s1 |
| InChI Key | JHBZCPZIKAFEEU-RUZDIDTESA-N |
| Transport Info | Product Name: (R)-2-((6-(3-((3-(2-cyanobenzyl)-1-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)amino)piperidin-1-yl)-3-methyl-2,4-dioxo-3, |
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