Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 2(5H)-Thiophenone, 3-(((5-hydroxy-3-(hydroxymethyl)-2-methyl-4-pyridinyl)methyl)amino)-, monohydrochloride
RN: 60888-98-4
InChIKey: BJHOMFRQQSMTQL-UHFFFAOYSA-N

Molecular Formula

  • C12-H14-N2-O3-S.Cl-H

Molecular Weight

  • 302.7805
 
* 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

Synonym

  • Pyridoxal homocysteine thiolactone enamine hydrochloride

Systematic Name

  • 2(5H)-Thiophenone, 3-(((5-hydroxy-3-(hydroxymethyl)-2-methyl-4-pyridinyl)methyl)amino)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 60888-98-4

System Generated Number

  • 0060888984

Molecular Formulas

Molecular Formula

  • C12-H14-N2-O3-S.Cl-H

Molecular Formula Fragments

  • C12-H14-N2-O3-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C12H14N2O3S.ClH/c1-7-9(6-15)8(11(16)5-13-7)4-14-10-2-3-18-12(10)17;/h2,5,14-16H,3-4,6H2,1H3;1H

InChIKey

BJHOMFRQQSMTQL-UHFFFAOYSA-N

Smiles

Cc1c(c(c(cn1)O)CNC2=CCSC2=O)CO.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD subcutaneous > 2gm/kg (2000mg/kg)   Chemotherapy Vol. 23, Pg. 44, 1977.