Record Information
Version1.0
Creation date2010-04-08 22:09:29 UTC
Update date2015-07-20 22:38:23 UTC
Primary IDFDB011150
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameCloransulam-methyl
DescriptionPre- and post-emergence broad-leaved herbicide for use in soya beans
CAS Number147150-35-4
Structure
Thumb
Synonyms
SynonymSource
Cloransulam - methylbiospider
Cloransulam-methyl [iso]biospider
Cloransulam-methyl, BSIdb_source
First ratebiospider
XDE 565db_source
Predicted PropertiesNot Available
Chemical FormulaC15H13ClFN5O5S
IUPAC name
InChI IdentifierInChI=1S/C15H13ClFN5O5S/c1-3-27-15-18-10(17)7-11-19-14(20-22(11)15)28(24,25)21-12-8(13(23)26-2)5-4-6-9(12)16/h4-7,21H,3H2,1-2H3
InChI KeyBIKACRYIQSLICJ-UHFFFAOYSA-N
Isomeric SMILESCCOC1=NC(F)=CC2=NC(=NN12)S(=O)(=O)NC1=C(C=CC=C1Cl)C(=O)OC
Average Molecular Weight429.811
Monoisotopic Molecular Weight429.030995153
Classification
ClassificationNot classified
Ontology
Disposition

Biological location:

Source:

Role

Biological role:

Environmental role:

Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionC 41.92%; H 3.05%; Cl 8.25%; F 4.42%; N 16.29%; O 18.61%; S 7.46%DFC
Melting Point217 oC
Boiling PointNot Available
Experimental Water Solubility(1997)]
Experimental logPNot Available
Experimental pKa4.81
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
EI-MS/GC-MSNot Available
MS/MSNot Available
NMRNot Available
ChemSpider ID77968
ChEMBL IDNot Available
KEGG Compound IDC10907
Pubchem Compound ID86453
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB33147
CRC / DFC (Dictionary of Food Compounds) IDGBN03-I:GBO37-A
EAFUS IDNot Available
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDNot Available
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference