DISODIUM MONOMETHANEARSONATE


UNII	7NK4BV40VN
Source	Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	SDIXRDNYIMOKSG-UHFFFAOYSA-L
Smiles	[Na+].[Na+].C[As](=O)([O-])[O-]
InChI	InChI=1S/CH5AsO3.2Na/c1-2(3,4)5;;/h1H3,(H2,3,4,5);;/q;2*+1/p-2

Physicochemical Descriptors

Property Name	Value
Molecular Formula	CH3AsNa2O3
Molecular Weight	183.93
AlogP	None
Hydrogen Bond Acceptor	None
Hydrogen Bond Donor	None
Number of Rotational Bond	None
Polar Surface Area	None
Molecular species	None
Aromatic Rings	None
Heavy Atoms	None

Assay Description	Organism	Bioactivity
Post-emergence phytotoxicity against Gossypium hirsutum (cotton) assessed as mortality at 100 g a.i/10 a applied 11 days after germination as foliar spray	Gossypium hirsutum	5.0 %
Post-emergence phytotoxicity against Gossypium hirsutum (cotton) assessed as mortality at 200 g a.i/10 a applied 11 days after germination as foliar spray	Gossypium hirsutum	5.0 %
Post-emergence phytotoxicity against Glycine max (soybean) assessed as mortality at 100 g a.i/10 a applied 11 days after germination as foliar spray	Glycine max	None
Post-emergence phytotoxicity against Glycine max (soybean) assessed as mortality at 200 g a.i/10 a applied 11 days after germination as foliar spray	Glycine max	None
Post-emergence phytotoxicity against Zea mays (maize) assessed as mortality at 100 g a.i/10 a applied 11 days after germination as foliar spray	Zea mays	None
Post-emergence phytotoxicity against Zea mays (maize) assessed as mortality at 200 g a.i/10 a applied 11 days after germination as foliar spray	Zea mays	None
Post-emergence herbicidal activity against Xanthium strumarium (cocklebur) assessed as mortality at 100 g a.i/10 a applied 11 days after germination as foliar spray	Xanthium strumarium	None
Post-emergence herbicidal activity against Xanthium strumarium (cocklebur) assessed as mortality at 200 g a.i/10 a applied 11 days after germination as foliar spray	Xanthium strumarium	None
Post-emergence herbicidal activity against Ipomoea lacunosa assessed as mortality at 100 g a.i/10 a applied 11 days after germination as foliar spray	Ipomoea lacunosa	5.0 %
Post-emergence herbicidal activity against Ipomoea lacunosa assessed as mortality at 200 g a.i/10 a applied 11 days after germination as foliar spray	Ipomoea lacunosa	None
Post-emergence herbicidal activity against Abutilon theophrasti (velvetleaf) assessed as mortality at 100 g a.i/10 a applied 11 days after germination as foliar spray	Abutilon theophrasti	5.0 %
Post-emergence herbicidal activity against Abutilon theophrasti (velvetleaf) assessed as mortality at 200 g a.i/10 a applied 11 days after germination as foliar spray	Abutilon theophrasti	None
Post-emergence herbicidal activity against Echinochloa crus-galli (barnyard grass) assessed as mortality at 100 g a.i/10 a applied 11 days after germination as foliar spray	Echinochloa crus-galli	None
Post-emergence herbicidal activity against Echinochloa crus-galli (barnyard grass) assessed as mortality at 200 g a.i/10 a applied 11 days after germination as foliar spray	Echinochloa crus-galli	None

Cross References

Resources	Reference
ChEMBL	CHEMBL2289061
FDA SRS	7NK4BV40VN
PubChem	8947
SureChEMBL	SCHEMBL28552

CONTENTS


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).