# Espas

CAS: 82611-88-9
PubChem CID: 23709986
InChIKey: MWFOPMKUGZLPQA-UHFFFAOYSA-M
Molecular formula: C₁₂H₁₈NO₄SNa
Molar mass: 295.33 g/mol
IUPAC: sodium 3-(N-ethyl-3-methoxyanilino)propane-1-sulfonate
SMILES: CCN(CCCS(=O)(=O)[O-])C1=CC(=CC=C1)OC.[Na+]
InChI: InChI=1S/C12H19NO4S.Na/c1-3-13(8-5-9-18(14,15)16)11-6-4-7-12(10-11)17-2;/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,14,15,16);/q;+1/p-1
PSA: 78.1 A^2
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 7
Heavy atoms: 19
3D structure: 37 atoms, 37 bonds

## About the compound

Espas is a chemical compound registered under CAS number 82611-88-9. Molecular formula: C₁₂H₁₈NO₄SNa. Molar mass: 295.33 g/mol. The full systematic IUPAC name is: sodium 3-(N-ethyl-3-methoxyanilino)propane-1-sulfonate. The molecule contains 37 atoms connected by 37 chemical bonds. 
Chemical data comes from the PubChem (NIH), ChEMBL (EBI) and NIST WebBook databases. GHS statement translations comply with the CLP Regulation (EC 1272/2008). Interactive 3D model and 2D skeleton available at: https://molgod.org/molecule/82611-88-9/


## Synonyms

  - 82611-88-9
  - ADPS
  - ESPAS
  - N-Ethyl-N-(3-sulfopropyl)-3-methoxyaniline sodium salt
  - N-Ethyl-N-(3-sulfopropyl)-m-anisidine sodium salt
  - Sodium 3-(ethyl(3-methoxyphenyl)amino)propane-1-sulfonate
  - MFCD00083320
  - sodium;3-(N-ethyl-3-methoxyanilino)propane-1-sulfonate
  - N-Ethyl-N-(3-sulfopropyl)-3-methoxyaniline sodium salt monohydrate
  - ADPS, sodium salt
  - 1-Propanesulfonic acid, 3-[ethyl(3-methoxyphenyl)amino]-, sodium salt
  - SCHEMBL309046

## Data sources

  - PubChem CID 23709986: https://pubchem.ncbi.nlm.nih.gov/compound/23709986
  - NIST WebBook: https://webbook.nist.gov/cgi/cbook.cgi?ID=82611-88-9
  - ChEMBL: https://www.ebi.ac.uk/chembl/g/#search_results/all/query=82611-88-9

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Last updated: 2026-10-17
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