Basic information
- CAS
71923-34-7- Standard SMILES
O=c1oc(CCN2CCN(c3ccccc3)CC2)c(-c2ccc(Cl)cc2)o1- InChIKey
QPIRWBYRKYGHDQ-UHFFFAOYSA-N- Molecular formula
- C21H21ClN2O3
- Average molar mass
- 384.9 g/mol
- Monoisotopic mass
- 384.1240702
Overview
Clodoxopone is a small molecule drug. Clodoxopone has a monoisotopic molecular weight of 384.12 Da.
Names & identifiers
- Preferred name
- LR 19731
- IUPAC
- 4-(4-chlorophenyl)-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-dioxol-2-one
- English name
- Clodoxopone
- Molecular formula
- C21H21ClN2O3
- Molecular weight
- 0
Names & synonyms
LR 19731LR-197311,3-Dioxol-2-one, 4-(4-chlorophenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-RefChem:127025Clodoxopone71923-34-7ClodoxoponaClodoxopone [INN]4-(4-chlorophenyl)-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-dioxol-2-oneF94O7Q5JLMClodoxoponum4-(4-chlorophenyl)-5-(2-(4-phenylpiperazin-1-yl)ethyl)-1,3-dioxol-2-one
Show more names
4-(4-Chlorophenyl)-5-[2-(4-phenyl-1-piperazinyl)ethyl]-1,3-dioxol-2-one
4-(p-Chlorophenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-1,3-dioxol-2-oneClodoxoponum [INN-Latin]UNII-F94O7Q5JLMClodoxopona [INN-Spanish]orb1697758SCHEMBL2108504CHEMBL1188181DTXSID40222209
Database identifiers
- CAS
71923-34-7- PubChem CID
- 51445
- DTXSID
DTXSID40222209- ChEMBL
CHEMBL1188181- UNII
- F94O7Q5JLM
- Nikkaji
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 546
Physicochemical properties
- FDA UNII
- 94 O7Q5JLM · F94O7Q5JLM
Chemistry & industry
Suppliers2 total
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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