Pyrithioxin dihydrochloride
5-[[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyldisulfanyl]methyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride
Also Known As: Pyrithioxin dihydrochloride|Pyrithioxine|Encephabol|Pyrithioxin|Dinerfene|Pyriditol|Bonifen|Enerbol|Life|Pyritinol dihydrochloride|Pyritinol HCl|Pyrithioxine hydrochloride|Pyrithioxin (dihydrochloride)|Pyrithioxine [JAN]|Pyritioxine hydrochloride|Pyritinoldihydrochlorid|Pyrithioxin(dihydrochloride)|HY-B0910AR|EINECS 233-178-5|HY-B0910A|Pyrithioxine hydrochloride [JAN]|Tox21_112335|s4730|Tox21_112335_1|CS-4614|KS-00001F95|NCGC00166140-01|NCGC00166140-02|Pyrithioxin (dihydrochloride) (Standard)
| Molecular Formula | C16H22Cl2N2O4S2 |
|---|---|
| Molecular Weight | 440.0398 g/mol |
| LogP | 3.41 |
| Topological Polar Surface Area | 106.7 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 440.0398 |
| Heavy Atoms | 26 |
| Complexity | 674.4 |
Chemical Identifiers
| CAS Number | 10049-83-9 |
|---|---|
| SMILES | CC1=NC=C(C(=C1O)CO)CSSCC2=CN=C(C(=C2CO)O)C.Cl.Cl |
Product Overview
Pyrithioxin dihydrochloride (CAS 10049-83-9), with molecular formula C16H22Cl2N2O4S2 and molecular weight 440.0398 g/mol. IUPAC: 5-[[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyldisulfanyl]methyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride.
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