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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2448348
CHEMBL2448348
Compound Name CARBOXYMETHYL-TRIMETHYL-ARSONIUM
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C5H11AsO2

Additional synonyms for CHEMBL2448348 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[As+](C)(C)CC(=O)[O-]
Standard InChI InChI=1S/C5H11AsO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3
Standard InChI Key SPTHHTGLGVZZRH-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2448348

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
178.1 177.9975 - - - -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
- - - - - -


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - - - - - -0

Structural Alerts

There are no structural alerts for CHEMBL2448348

Compound Cross References

ChemSpider ChemSpider:SPTHHTGLGVZZRH-UHFFFAOYSA-N
PubChem SID: 251919986

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2448348



ACToR 64436-13-1
ChEBI 82392
eMolecules 478618
EPA CompTox Dashboard DTXSID0052833
FDA SRS UWC1LS4V3I
Human Metabolome Database HMDB0033206
KEGG Ligand C19331
PDBe 3Q7
PubChem 47364
PubChem: Thomson Pharma 49744925
SureChEMBL SCHEMBL160919

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/SPTHHTGLGVZZRH-UHFFFAOYSA-N spacer
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