CID 20057045
Basic information
- CAS
125-86-0- Standard SMILES
CCN(CC)CCOC(=O)C1(c2ccccc2)CCCC1.O=S(=O)(O)CCS(=O)(=O)O- InChIKey
CDMWHZMJMHEBDL-UHFFFAOYSA-N- Molecular formula
- C20H33NO8S2
- Average molar mass
- 479.6 g/mol
- Monoisotopic mass
- 479.16475936
Names & identifiers
- Preferred name
- CID 20057045
- IUPAC
- 2-(diethylamino)ethyl 1-phenylcyclopentane-1-carboxylate;ethane-1,2-disulfonic acid
- English name
- caramiphen hydrogen edisilate
- Molecular formula
- 2C18H27NO2.C2H6O6S2
- Molecular weight
- 769.028
Names & synonyms
SCHEMBL158932EthanedisulfonateBANIDACEBXZGNK-UHFFFAOYSA-NCaramiphen ethanedisulfonatecaramiphen hydrogen edisilate2-diethylaminoethyl 2-phenylcyclopentane-1-carboxylate2-phenylcyclopentanecarboxylic acid 2-diethylaminoethyl esterBis[1-(carbo-β-diethylaminoethoxy)-1-phenylcyclopentane]ethanedisulfonate
Database identifiers
- CAS
125-86-0- PubChem CID
- 20057045
Properties
Computed structural properties
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 552
Physicochemical properties
- Melting point
- 115 · 115-116°
- FDA UNII
- 9 TQU5PG95 · 09TQU5PG95
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
UsesBis[1-(carbo-β-diethylaminoethoxy)-1-phenylcyclopentane]ethanedisulfonate is an anticholinergic and antiglutamatergic drug, which has also found use as an antidote against oragnophosphate poisoning.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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