Difemerine
Basic information
- CAS
3477-97-2- Standard SMILES
CN(C)C(C)(C)COC(=O)C(O)(c1ccccc1)c1ccccc1- InChIKey
GUONSMXZEYTWML-UHFFFAOYSA-N- Molecular formula
- C20H25NO3
- Average molar mass
- 327.4 g/mol
- Monoisotopic mass
- 327.18344366
Overview
See also: Difemerine Hydrochloride (active moiety of).
Names & identifiers
- Preferred name
- Difemerine
- IUPAC
- [2-(dimethylamino)-2-methylpropyl] 2-hydroxy-2,2-diphenylacetate
- English name
- Difemerine
- Molecular formula
- C20H25NO3
- Molecular weight
- 327.42
Names & synonyms
Difemerine80387-96-8Difemerinum843C4UPZ2F2-(Dimethylamino)-1,1-dimethylethyl benzilateRefChem:133545A03AA092-(dimethylamino)-2-methylpropyl 2-hydroxy-2,2-diphenylacetatedifemerina3477-97-2Difemerine [INN][2-(dimethylamino)-2-methylpropyl] 2-hydroxy-2,2-diphenylacetate
Show more names
[2-(dimethylamino)-2-methylpropyl] 2-hydroxy-2,2-di(phenyl)acetate[2-(dimethylamino)-2-methyl-propyl] 2-hydroxy-2,2-di(phenyl)ethanoate2-hydroxy-2,2-di(phenyl)acetic acid [2-(dimethylamino)-2-methyl-propyl] esterBenzeneacetic acid, α-hydroxy-α-phenyl-, 2-(dimethylamino)-2-methylpropyl ester
Difemerine (INN)DifemerinodifemerinUNII-843C4UPZ2F2-Dimethylamino-2-methylpropyl benzilatDIFEMERINE [MI]DIFEMERINE [WHO-DD]Benzilsaeure-(2-dimethylamino)-2-methyl-propylester)
Database identifiers
- CAS
3477-97-2、80387-96-8- PubChem CID
- 165124
- DTXSID
DTXSID80868569- ChEMBL
CHEMBL3304486- UNII
- 843C4UPZ2F
- Nikkaji
- J3.034.605J
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 389
Chemistry & industry
Pharmacology
ATC Code
A - Alimentary tract and metabolism
QA - Alimentary tract and metabolism
Applications
DescriptionDifemerine (free base) is a little known antimuscarinic drug sold under the name Luostyl.
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Related reactions
0 records
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Compound notes
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