chempirical

Pyritinol hydrochloride

C16H22Cl2N2O4S2CAS 10049-83-9441.38 g/mol

Open in Covalent MOL file
NSSNOHHOHOHOHClHCl
AlcoholDisulfidePhenol

Properties

Molecular formula
C16H22Cl2N2O4S2
Molar mass
441.38 g/mol
Exact mass
440.0398 Da
Melting point
184 °C
logP
3.41Crippen estimate
Polar surface area
106.7 Ų
H-bond donors / acceptors
4 / 8
Rotatable bonds
7

Identifiers

CAS number
10049-83-9
SMILES
Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O.Cl.Cl
InChIKey
HRZWYHGGJOWGRI-UHFFFAOYSA-N
InChI
InChI=1S/C16H20N2O4S2.2ClH/c1-9-15(21)13(5-19)11(3-17-9)7-23-24-8-12-4-18-10(2)16(22)14(12)6-20;;/h3-4,19-22H,5-8H2,1-2H3;2*1H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names
  • 4-Pyridinemethanol, 3,3′-[dithiobis(methylene)]bis[5-hydroxy-6-methyl-, hydrochloride (1:2)
  • 4-Pyridinemethanol, 3,3′-(dithiodimethylene)bis[5-hydroxy-6-methyl-, dihydrochloride
  • 4-Pyridinemethanol, 3,3′-[dithiobis(methylene)]bis[5-hydroxy-6-methyl-, dihydrochloride
  • Pyrithioxine hydrochloride
  • Encephabol
  • Enerbol
  • Pyriditol
  • Pyrithioxin hydrochloride
  • Enbol
  • Biocefalin
  • Life
  • Pyritinol dihydrochloride

Work with Pyritinol hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Pyritinol1098-97-191 % similar Pyridoxine65-23-669 % similar 4-(Aminomethyl)-5-hydroxy-6-methyl-3-pyridinemethanol dihydrochloride524-36-762 % similar 4-Deoxypyridoxine148-51-660 % similar 2-Methyl-3-hydroxy-4-formyl-5-hydroxymethylpyridine hydrochloride65-22-553 % similar Metadoxine74536-44-044 % similar 4-Methyl-1H-imidazole-5-methanol hydrochloride38585-62-536 % similar Pyridoxal phosphate54-47-732 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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