CAD

CACODYLIC ACID

Created: 1999-07-26
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count12
Chiral Atom Count0
Bond Count11
Aromatic Bond Count0
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Chemical Component Summary

NameCACODYLIC ACID
SynonymsHYDROXYDIMETHYLARSINE OXIDE
Systematic Name (OpenEye OEToolkits)dimethylarsinic acid
FormulaC2 H7 As O2
Molecular Weight137.997
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=[As](O)(C)C
SMILESCACTVS3.341C[As](C)(O)=O
SMILESOpenEye OEToolkits1.5.0C[As](=O)(C)O
Canonical SMILESCACTVS3.341 C[As](C)(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 C[As](=O)(C)O
InChIInChI1.03 InChI=1S/C2H7AsO2/c1-3(2,4)5/h1-2H3,(H,4,5)
InChIKeyInChI1.03 OGGXGZAMXPVRFZ-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB02994 
NameCacodylic acid
Groups experimental
Synonyms
  • Dimethylarsenic acid
  • Cacodylic acid
  • Hydroxydimethylarsine oxide
  • Dimethylarsinic acid
Categories
  • Agrochemicals
  • Arsenicals
  • Compounds used in a research, industrial, or household setting
  • Herbicides
  • Pesticides
CAS number75-60-5

Drug Targets

NameTarget SequencePharmacological ActionActions
Gag-Pol polyproteinMGARASVLSGGELDKWEKIRLRPGGKKQYKLKHIVWASRELERFAVNPGL...unknown
Nitric oxide synthase, endothelialMGNLKSVAQEPGPPCGLGLGLGLGLCGKQGPATPAPEPSRAPASLLPPAP...unknown
Aldose reductaseMASRLLLNNGAKMPILGLGTWKSPPGQVTEAVKVAIDVGYRHIDCAHVYQ...unknown
Guanine nucleotide-binding protein G(t) subunit alpha-1MGAGASAEEKHSRELEKKLKEDAEKDARTVKLLLLGAGESGKSTIVKQMK...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 2513
ChEMBL CHEMBL1231644
ChEBI CHEBI:48765
CCDC/CSD CADYLA01, BUBZEE, CADYLA02, CADYLA03
COD 2231343