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Orthosulfamuron

CAT: 1299-RG-A260619-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-A260619-02Size:25 mg
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CAS Number
213464-77-8
Synonyms
Orthosulfamuron
Molecular Formula
C16H20N6O6S
Molecular Weight
424.43
Target Alternative Name
Orthosulfamuron
Product Name Synonym
Orthosulfamuron

Chemical Information

Orthosulfamuron

Orthosulfamuron is an N-sulfonylurea and sulfuric amide resulting from the formal condensation of sulfuric acid with the primary amino group of 1-(4,6-dimethoxypyrimidin-2-yl)urea and with the primary amino group of 2-amino-N,N-dimethylbenzamide (1 mol eq. of each). An acetolactate synthase inhibitor, it is used as a pre- and post-emergent herbicide for the treatment of grasses and broad-leaved weeds in rice crops. It has a role as an EC 2.2.1.6 (acetolactate synthase) inhibitor and a herbicide. It is a tertiary carboxamide, an aromatic ether, a sulfuric amide and a N-sulfonylurea.

CAS Number213464-77-8
PubChem CID11091168
IUPAC Name2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylamino]-N,N-dimethylbenzamide
Molecular FormulaC16H20N6O6S
Molecular Weight424.4
XLogP1.6
Topological Polar Surface Area160
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity657
SMILES
CN(C)C(=O)C1=CC=CC=C1NS(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC
InChI
InChI=1S/C16H20N6O6S/c1-22(2)14(23)10-7-5-6-8-11(10)20-29(25,26)21-16(24)19-15-17-12(27-3)9-13(18-15)28-4/h5-9,20H,1-4H3,(H2,17,18,19,21,24)
InChIKey
UCDPMNSCCRBWIC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Orthosulfamuron
CAS: 213464-77-8
CID: 11091168
Formula: C16H20N6O6S
MW: 424.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight424.4
XLogP31.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass424.11650355
Monoisotopic Mass424.11650355
Topological Polar Surface Area160 Ų
Heavy Atom Count29
Formal Charge0
Complexity657
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TRC-O697515-5MGOrthosulfamuron

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