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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:33:06 UTC
Update Date2023-02-21 17:19:19 UTC
HMDB IDHMDB0029862
Secondary Accession Numbers
  • HMDB29862
Metabolite Identification
Common NameCyromazine
DescriptionCyromazine, also known as larvadex or vetrazin, belongs to the class of organic compounds known as n-aliphatic s-triazines. These are n-aliphatic amine derivatives of 1,3,5-triazines. 1,3,5-triazines are aromatic compounds having three nitrogen ring atoms at the 1-, 3-, and 5- positions. Cyromazine exists in all living organisms, ranging from bacteria to humans. Cyromazine is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review a significant number of articles have been published on Cyromazine.
Structure
Thumb
Synonyms
Chemical FormulaC6H10N6
Average Molecular Weight166.1838
Monoisotopic Molecular Weight166.09669435
IUPAC NameN2-cyclopropyl-1,3,5-triazine-2,4,6-triamine
Traditional Namecyromazine
CAS Registry Number66215-27-8
SMILES
NC1=NC(NC2CC2)=NC(N)=N1
InChI Identifier
InChI=1S/C6H10N6/c7-4-10-5(8)12-6(11-4)9-3-1-2-3/h3H,1-2H2,(H5,7,8,9,10,11,12)
InChI KeyLVQDKIWDGQRHTE-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as n-aliphatic s-triazines. These are n-aliphatic amine derivatives of 1,3,5-triazines. 1,3,5-Triazines are aromatic compounds having three nitrogen ring atoms at the 1-, 3-, and 5- positions.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassTriazines
Sub ClassAminotriazines
Direct ParentN-aliphatic s-triazines
Alternative Parents
Substituents
  • N-aliphatic s-triazine
  • Secondary aliphatic/aromatic amine
  • 1,3,5-triazine
  • Heteroaromatic compound
  • Azacycle
  • Secondary amine
  • Organic nitrogen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Primary amine
  • Organonitrogen compound
  • Amine
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
DispositionNot Available
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point219 - 222 °CNot Available
Boiling Point480.60 °C. @ 760.00 mm Hg (est)The Good Scents Company Information System
Water Solubility13000 mg/L @ 25 °C (exp)The Good Scents Company Information System
LogP-0.040 (est)The Good Scents Company Information System
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
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 IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB001091
KNApSAcK IDNot Available
Chemspider ID43550
KEGG Compound IDC14147
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkCyromazine
METLIN IDNot Available
PubChem Compound47866
PDB IDAX3
ChEBI ID30260
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1340011
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .