Basic information
- CAS
71923-29-0- Standard SMILES
O=c1oc(CCN2CCN(c3ccccc3)CC2)c(-c2ccc(F)cc2)o1- InChIKey
NFYAWNPZCNDDOG-UHFFFAOYSA-N- Molecular formula
- C21H21FN2O3
- Average molar mass
- 368.4 g/mol
- Monoisotopic mass
- 368.1536207
Overview
Fludoxopone is a small molecule drug. Fludoxopone has a monoisotopic molecular weight of 368.15 Da.
Names & identifiers
- Preferred name
- Fludoxopone
- IUPAC
- 4-(4-fluorophenyl)-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-dioxol-2-one
- English name
- Fludoxopone
- Molecular formula
- C21H21FN2O3
- Molecular weight
- 368.4
Names & synonyms
Fludoxopone71923-29-0Fludoxopone [INN]fludoxopona4-(4-fluorophenyl)-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-dioxol-2-oneUNII-2KN23X015H2KN23X015HDTXSID802222084-(p-Fluorophenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-1,3-dioxol-2-onefludoxoponum4-(4-fluorophenyl)-5-(2-(4-phenylpiperazin-1-yl)ethyl)-1,3-dioxol-2-oneRefChem:140818
Show more names
1,3-Dioxol-2-one, 4-(4-fluorophenyl)-5-[2-(4-phenyl-1-piperazinyl)ethyl]-
DTXCID401446994-(4-Fluorophenyl)-5-[2-(4-phenyl-1-piperazinyl)ethyl]-1,3-dioxol-2-oneSCHEMBL2110611CHEMBL11885304-(4-fluorophenyl)-5-[2-(4-phenylpiperazin-1-yl)ethyl]-2H-1,3-dioxol-2-oneQ272548734-(p-Fluorophenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-1,3-dioxol-2-one.
Database identifiers
- CAS
71923-29-0- PubChem CID
- 51441
- DTXSID
DTXSID80222208- ChEMBL
CHEMBL1188530
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 546
Physicochemical properties
- Boiling point
- 501.1 · 501.1±60.0 °C(Predicted)
- Density
- 1.264 · 1.264±0.06 g/cm3(Predicted)
- pka
- 7.69 · 7.69±0.10(Predicted)
- FDA UNII
- 2 KN23X015H · 2KN23X015H
Chemistry & industry
Suppliers4 total
2A PharmaChem USA[email protected]
Leancare Ltd.[email protected]
Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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