Disodium monomethanearsonate

ID: ALA2289061

Cas Number: 144-21-8

PubChem CID: 8947

Max Phase: Preclinical

Molecular Formula: CH3AsNa2O3

Molecular Weight: 139.97

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  C[As](=O)([O-])[O-].[Na+].[Na+]

Standard InChI:  InChI=1S/CH5AsO3.2Na/c1-2(3,4)5;;/h1H3,(H2,3,4,5);;/q;2*+1/p-2

Standard InChI Key:  SDIXRDNYIMOKSG-UHFFFAOYSA-L

Molfile:  

     RDKit          2D

  7  4  0  0  0  0  0  0  0  0999 V2000
    9.6164  -27.7886    0.0000 Na  0  0  0  0  0 15  0  0  0  0  0  0
    8.6259  -26.3358    0.0000 As  0  0  0  0  0  5  0  0  0  0  0  0
    8.0440  -25.7539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3317  -25.9231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0440  -26.9137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2037  -26.9137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5776  -27.7267    0.0000 Na  0  0  0  0  0 15  0  0  0  0  0  0
  2  3  2  0
  2  4  1  0
  2  5  1  0
  2  6  1  0
M  CHG  4   1   1   5  -1   6  -1   7   1
M  END

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Unknown

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 139.97

Molecular Weight (Monoisotopic): 139.9455

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CX Acidic pKa: ┄

CX Basic pKa: ┄

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Np Likeness Score: ┄

References

1. NEZU Y, WADA N, SAITOH Y, TAKAHASHI S, MIYAZAWA T.  (1996)  Synthesis and Herbicidal Activity of Pyrimidinyl Salicylic and Thiosalicylic Acids,  21  (3): [10.1584/jpestics.21.293]

Source

Source(1):

• Scientific Literature