![3-((3R,4R)-3-((2-chloro-7H-pyrrolo[2,3-d]pyriMidin-4-yl)(Methyl)aMino)-4-Methylpiperidin-1-yl)-3-oxopropanenitrile structure, CAS 1616761-00-2](/structures/210000/181113_1_1616761_00_2.png)
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 1616761-00-2 |
| Catalog No. | 2A-3180281 |
| Chinese Name | 托法替尼杂质 8 |
| Synonyms | Exact Mass 346.130890; LogP 2.19; Index of Refraction 1.651; InChIKey PBBKAMYFZVSJCI-PWSUYJOCSA-N; Synonyms |
| Molecular Formula | C16H19O1N6Cl1 |
| Molecular Weight | 346.82 |
| Density | 1.4±0.1 g/cm3 |
| Storage Condition | room temperature |
| PubChem ID | 210278955 |
| MDL Number | MFCD26967971 |
| SMILES | CC1CCN(C(=O)CC#N)CC1N(C)c1nc(Cl)nc2[nH]ccc12 |
| InChI | InChI=1S/C16H19ClN6O/c1-10-5-8-23(13(24)3-6-18)9-12(10)22(2)15-11-4-7-19-14(11)20-16(17)21-15/h4,7,10,12H,3,5,8-9H2,1-2H3,(H,19,20,21)/t10-,12+/m1/s1 |
| InChI Key | PBBKAMYFZVSJCI-PWSUYJOCSA-N |
| Transport Info | Product name: N-Methyl-N-(3R,4R)-1-cyanoacetyl-4-methylpiperidin-3-yl-2-chloro-7-deazapurine-6-amine |
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