Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 3-Pyridinol, 4,5-di(mercaptomethyl)-2-methyl-, hydrochloride
RN: 13331-81-2
InChIKey: JQZWOAMUOYWBJO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H11-N-O-S2.Cl-H

Molecular Weight

  • 237.774
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 3,4-Pyridinedimethanethiol, 5-hydroxy-6-methyl-, hydrochloride
  • 4,5-Di(mercaptomethyl)-2-methyl-3-pyridinol hydrochloride
  • 4,5-Dimercaptopyridoxin hydrochlorid
  • 4,5-Dimercaptopyridoxin hydrochlorid [German]

Systematic Name

  • 3-Pyridinol, 4,5-di(mercaptomethyl)-2-methyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 13331-81-2

System Generated Number

  • 0013331812

Molecular Formulas

Molecular Formula

  • C8-H11-N-O-S2.Cl-H

Molecular Formula Fragments

  • C8-H11-N-O-S2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C8H11NOS2.ClH/c1-5-8(10)7(4-12)6(3-11)2-9-5;/h2,10-12H,3-4H2,1H3;1H

InChIKey

JQZWOAMUOYWBJO-UHFFFAOYSA-N

Smiles

c1(c(c(c(cn1)CS)CS)O)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 32mg/kg (32mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 922, 1961.
mouse LD50 oral 215mg/kg (215mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 922, 1961.
mouse LD50 subcutaneous 147mg/kg (147mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 922, 1961.
rat LD50 intravenous 43mg/kg (43mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: EXCITEMENT
Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 922, 1961.
rat LD50 oral 549mg/kg (549mg/kg) BEHAVIORAL: EXCITEMENT

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 922, 1961.
rat LD50 subcutaneous 90mg/kg (90mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: EXCITEMENT
Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 922, 1961.