Basic information
- CAS
23271-74-1- Standard SMILES
CC(CCN1CCOCC1)OC(=O)C1(c2ccccc2)CCOCC1- InChIKey
RDEOYUSTRWNWLX-UHFFFAOYSA-N- Molecular formula
- C20H29NO4
- Average molar mass
- 347.4 g/mol
- Monoisotopic mass
- 347.20965841
Overview
Fedrilate is a member of morpholines.
Names & identifiers
- Preferred name
- Fedrilate
- IUPAC
- 4-morpholin-4-ylbutan-2-yl 4-phenyloxane-4-carboxylate
- English name
- fedrilate
- Molecular formula
- C20H29NO4
- Molecular weight
- 347.45
Names & synonyms
FedrilateFedrilato23271-74-1FedrilatumGotas binelliFedrilato [INN-Spanish]UCB 3928Fedrilate [INN:DCF]Fedrilatum [INN-Latin]UCB-3928UNII-NT86R8M7J5Fedrilate (INN)
Show more names
4-morpholin-4-ylbutan-2-yl 4-phenyloxane-4-carboxylate4-phenyltetrahydropyran-4-carboxylic acid (1-methyl-3-morpholino-propyl) esterTetrahydro-4-phenyl-2H-pyran-4-carboxylic acid 1-methyl-3-morpholinopropyl ester2H-Pyran-4-carboxylic acid, tetrahydro-4-phenyl-, 1-methyl-3-(4-morpholinyl)propyl ester
NT86R8M7J5Gotas binelli (TN)FEDRILATE [INN]EINECS 245-545-7FEDRILATE [MART.]FEDRILATE [WHO-DD]4-(Morpholin-4-yl)butan-2-yl 4-phenyloxane-4-carboxylateFedrilatum (INN-Latin)
Database identifiers
- CAS
23271-74-1- PubChem CID
- 31796
- DTXSID
DTXSID70865087- ChEMBL
CHEMBL2104591- ChEBI
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 48 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 410
Physicochemical properties
- Boiling point
- 478.8 · 478.8±45.0 °C(Predicted)
- Density
- 1.112 · 1.112±0.06 g/cm3(Predicted)
- pka
- 7.05 · 7.05±0.10(Predicted)
- FDA UNII
- 86 R8M7J5 · NT86R8M7J5
- ATC code
- 5 DB14 · R05DB14
Chemistry & industry
Pharmacology
ATC Code
R - Respiratory system
QR - Respiratory system
Suppliers1 total
Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]
Additional notes
DefinitionChEBI: Fedrilate is a member of morpholines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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