Hmdb loader
Show more...Show more...Show more...Show more...
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-13 11:50:32 UTC
Update Date2022-03-07 02:57:14 UTC
HMDB IDHMDB0041967
Secondary Accession Numbers
  • HMDB41967
Metabolite Identification
Common NameOltipraz
DescriptionOltipraz, also known as RP 35972 or 4-methyl-PDT, belongs to the class of organic compounds known as pyrazines. Pyrazines are compounds containing a pyrazine ring, which is a six-member aromatic heterocycle, that consists of two nitrogen atoms (at positions 1 and 4) and four carbon atoms. Based on a literature review a significant number of articles have been published on Oltipraz.
Structure
Thumb
Synonyms
ValueSource
4-Methyl-5-pyrazinyl-3H-1,2-dithiole-3-thioneChEBI
5-(2-Pyrazinyl)-4-methyl-1,2-dithiole-3-thioneChEBI
OltiprazumChEBI
RP 35972ChEBI
RP-35,972ChEBI
5-(2-Pyrazinyl)-4-methyl-1,2-dithiol-3-thioneHMDB
4-Methyl-PDTHMDB
35 972 R.P.HMDB
Chemical FormulaC8H6N2S3
Average Molecular Weight226.342
Monoisotopic Molecular Weight225.969310272
IUPAC Name4-methyl-5-(pyrazin-2-yl)-3H-1,2-dithiole-3-thione
Traditional Nameoltipraz
CAS Registry Number64224-21-1
SMILES
CC1=C(SSC1=S)C1=CN=CC=N1
InChI Identifier
InChI=1S/C8H6N2S3/c1-5-7(12-13-8(5)11)6-4-9-2-3-10-6/h2-4H,1H3
InChI KeyCKNAQFVBEHDJQV-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as pyrazines. Pyrazines are compounds containing a pyrazine ring, which is a six-member aromatic heterocycle, that consists of two nitrogen atoms (at positions 1 and 4) and four carbon atoms.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassDiazines
Sub ClassPyrazines
Direct ParentPyrazines
Alternative Parents
Substituents
  • 1,2-dithiole-3-thione
  • Pyrazine
  • Heteroaromatic compound
  • Dithiole
  • 1,2-dithiole
  • Azacycle
  • Organic nitrogen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organosulfur compound
  • Organonitrogen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB12539
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID43066
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkOltipraz
METLIN IDNot Available
PubChem Compound47318
PDB IDNot Available
ChEBI ID77319
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References