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Substance Name: Pyritinol [INN:BAN:DCF]
RN: 1098-97-1
UNII: AK5Q5FZH2R
InChIKey: SIXLXDIJGIWWFU-UHFFFAOYSA-N

Note

  • A neurotropic agent which reduces permeability of blood-brain barrier to phosphate. It has no vitamin B6 activity.

Molecular Formula

  • C16-H20-N2-O4-S2

Molecular Weight

  • 368.476
 

Classification Code

  • Drug / Therapeutic Agent
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Names and Synonyms

Name of Substance

  • Pyrithioxin
  • Pyritinol [INN:BAN:DCF]

MeSH Heading

  • Pyrithioxin

Synonyms

  • 3,3'-(Dithiobis(methylene))bis(5-hydroxy-6-methyl-4-pyridinemethanol)
  • 4-Pyridinemethanol, 3,3'-(dithiodimethylene)bis(5-hydroxy-6-methyl-
  • Biocefalin
  • Bonifen
  • Bonol
  • Dipyridoxolyldisulfide
  • EINECS 214-150-1
  • Encefabol
  • Epocan
  • Piritinol
  • Piritinol [INN-Spanish]
  • Piritinolo
  • Piritinolo [DCIT]
  • Pyridoxine disulfide
  • Pyridoxine-5-disulfide
  • Pyrithioxin
  • Pyritinol
  • Pyritinolum
  • Pyritinolum [INN-Latin]
  • Pyritioxine
  • UNII-AK5Q5FZH2R
  • Vitamin B6 disulfide

Systematic Names

  • 3,3'-(Dithiodimethylene)bis(5-hydroxy-6-methyl-4-pyridinemethanol)
  • 4-Pyridinemethanol, 3,3'-(dithiobis(methylene))bis(5-hydroxy-6-methyl-
  • Pyritinol

Registry Numbers

CAS Registry Number

  • 1098-97-1

FDA UNII

  • AK5Q5FZH2R

System Generated Number

  • 0001098971

Structure Descriptors

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

Smiles

c1(c(c(c(C)nc1)O)CO)CSSCc1c(c(c(C)nc1)O)CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LDLo intraperitoneal 200mg/kg (200mg/kg)   United States Patent Document. Vol. #4598079,
mouse LD50 intravenous 115mg/kg (115mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 9, Pg. 1483, 1967.
mouse LD50 oral > 4500mg/kg (4500mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 9, Pg. 1483, 1967.
rat LD50 oral > 4gm/kg (4000mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 13, Pg. 77, 1971.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 219 deg C   EXP
log P (octanol-water) 1.620 (none)   EST
Atmospheric OH Rate Constant 2.94E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.