Molecular Identity
Metsulfuron-methyl
methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate
PubChem CID: 52999
Metsulfuron methyl is a N-sulfonylurea in which the sulfonyl group is attached to a 2-(methoxycarbonyl)phenyl group while a (4-methoxy-6-methyl-1,3,5-triazin-2-yl group replaces one of the amino hydrogens of the remaining urea group. It has a role as a herbicide, a xenobiotic and an environmental contaminant. It is a benzoate ester, a methoxy-1,3,5-triazine and a N-sulfonylurea.
2D Structure
Properties
C14H15N5O6S
Molecular Formula
381.37
Molecular Weight
g/mol
381.0743
Exact Mass
Da
1.5
XLogP
Drug-like (Lipinski: < 5)
158
TPSA
May have limited oral absorption
2
H-Bond Donors
9
H-Bond Acceptors
609
Complexity
SMILES
Canonical SMILES
SMILES: CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OCIsomeric SMILES
SMILES: CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OCSynonyms(20)
METSULFURON-METHYL74223-64-6Metsulfuron methylEscortGropperALLYGranstarAllieMetsulfuron methyl esterEscort (pesticide)ALLY 20DFHCHA 92HAmethyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoateDTXSID6023864DPD 63760H
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Metsulfuron-methyl
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