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Pyrithioxin

CAT: 0931-T0905-05Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0931-T0905-05Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1098-97-1
Target
Endogenous Metabolite
Related Pathways
Metabolism
Purity
>99.99%
Bioactivity
Pyrithioxin (Encefabol) is a neurodynamic compound, combined with a short period of hyperventilation (HV) was applied in cerebral infarct patients with Hemiplegia. Pyrithioxin is regarded as an encephalotropic or nootropic compound and is reported to act mainly by producing decisive improvements in cerebral metabolism.
Smiles
Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O
Molecular Formula
C16H20N2O4S2
Molecular Weight
368.47
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Pyritinol

Pyritinol is a member of methylpyridines.

CAS Number1098-97-1
PubChem CID14190
IUPAC Name5-[[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyldisulfanyl]methyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol
Molecular FormulaC16H20N2O4S2
Molecular Weight368.5
XLogP1.2
Topological Polar Surface Area157
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count24
Formal Charge0
Complexity346
SMILES
CC1=NC=C(C(=C1O)CO)CSSCC2=CN=C(C(=C2CO)O)C
InChI
InChI=1S/C16H20N2O4S2/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
InChIKey
SIXLXDIJGIWWFU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pyritinol
CAS: 1098-97-1
CID: 14190
Formula: C16H20N2O4S2
MW: 368.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight368.5
XLogP31.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass368.08644947
Monoisotopic Mass368.08644947
Topological Polar Surface Area157 Ų
Heavy Atom Count24
Formal Charge0
Complexity346
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
C10748Pyrithioxin
FP63879-01Pyrithioxin dihydrochloride
HY-B0910A-01Pyrithioxin (dihydrochloride)
AR-P33404-01Pyrithioxin DiHCl
A17540-100Pyrithioxin 100mg
A17540-500Pyrithioxin 500mg
A17540-200Pyrithioxin 200mg
A17540-25Pyrithioxin 25mg

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