CAS: 6119-70-6 | Quinine sulfate hydrate, NX79654
SKU: NX79654-5G
Product Identifiers
Catalog # | NX79654 |
CAS Number | 6119-70-6 |
PubChem CID | 16211610 |
Chemical Name | Quinine sulfate hydrate |
IUPAC Name | (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;sulfuric acid;dihydrate |
InChI | InChI=1S/2C20H24N2O2.H2O4S.2H2O/c2*1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-5(2,3)4;;/h2*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4);2*1H2/t2*13-,14-,19-,20+;;;/m00.../s1 |
InChIKey | ZHNFLHYOFXQIOW-LPYZJUEESA-N |
SMILES | COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.O.O.OS(=O)(=O)O |
MDL Number | MFCD00150792 |
Specification
MW | 391.47 |
MF | C20H24N2O2 á 0.5H2O4S á H2O |
Product Notes | +20¡C |
Cat Number | GE0921 |
Manufacturer | Glentham Life Sciences |
Country of Origin | United Kingdom |