Benzeneacetic acid, alpha-hydroxy-alpha-phenyl-, 2-(diethylamino)-1-methylethyl ester
Basic information
- CAS
57-36-3- Standard SMILES
CCN(CC)CC(C)OC(=O)C(O)(c1ccccc1)c1ccccc1- InChIKey
QTLYTFJMPQZTRQ-UHFFFAOYSA-N- Molecular formula
- C21H27NO3
- Average molar mass
- 341.4 g/mol
- Monoisotopic mass
- 341.19909372
Overview
RN given refers to parent cpd; structure
Names & identifiers
- Preferred name
- Benzeneacetic acid, alpha-hydroxy-alpha-phenyl-, 2-(diethylamino)-1-methylethyl ester
- IUPAC
- 1-(diethylamino)propan-2-yl 2-hydroxy-2,2-diphenylacetate
- English name
- metamizil
- Molecular formula
- C21H27NO3
- Molecular weight
- 341.44398
Names & synonyms
Metamizil57-36-3beta-diethylaminopropylbenzilic acid ester, hydrochloridemetamyzilmethamisilRefChem:916867Benzeneacetic acid, alpha-hydroxy-alpha-phenyl-, 2-(diethylamino)-1-methylethyl estermethylbenactyzine1-(diethylamino)propan-2-yl 2-hydroxy-2,2-diphenylacetatebeta-MethylamizylBRN 26689492-(Diethylamino)-1-methylethyl benzilate
Show more names
1-(Diethylamino)-2-propanyl hydroxy(diphenyl)acetate hydrochlorideBenzilic acid, 2-(diethylamino)-1-methylethyl esterDTXSID50972485ALBB-035698AKOS0407668161-(Diethylamino)propan-2-yl hydroxy(diphenyl)acetate1-(Diethylamino)propan-2-yl hydroxydi(phenyl)acetate
Database identifiers
- CAS
57-36-3- PubChem CID
- 65527
- DTXSID
DTXSID50972485- Nikkaji
- J543.560I
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 378
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…