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| IUPAC Name: | [(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate |
| Description: | 4-Dimethylaminobut-2-ynoic Acid Hydrochloride, is used as a reactant in the synthesis of quinazoline derivatives such as (2Z)-Afatinib (A355305) which may be used in the treatment of some cancers. |
| Molecular Weight: | 127.14 +(36.46) |
| Molecular Formula: | C6H9NO2·HCl |
| Canonical SMILES: | C1C(C(OC1N2C=NC3=C(N=CN=C32)N)COP(=O)(O)O)O |
| InChI: | InChI=1S/C10H14N5O6P/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(21-7)2-20-22(17,18)19/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1 |
| InChI Key: | KHWCHTKSEGGWEX-RRKCRQDMSA-N |
| Melting Point: | >150°C (dec.) |
| Solubility: | DMSO (Slightly), Methanol (Slightly) |
| Appearance: | Pale Beige to Light Brown Solid |
| Storage: | Hygroscopic, -20°C Freezer, Under inert atmosphere |
| References: | Tsou, H., et. al. J. Med. Chem., 44, 2719 (2001). |
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