Cloflumide
Basic information
- CAS
104821-37-6- Standard SMILES
CS(=O)(=O)O.NC(=O)CCN1CCN(C2Cc3cc(Cl)ccc3Sc3cc(F)ccc32)CC1- InChIKey
XULDEFSMTYYRCB-UHFFFAOYSA-N- Molecular formula
- C22H27ClFN3O4S2
- Average molar mass
- 516.1 g/mol
- Monoisotopic mass
- 515.1115546
Names & identifiers
- Preferred name
- Cloflumide
- IUPAC
- 3-[4-(3-chloro-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]propanamide;methanesulfonic acid
- English name
- Cloflumide
- Molecular formula
- C22H27ClFN3O4S2
- Molecular weight
- 516.0488832
Names & synonyms
Cloflumide104821-37-6VUFB-154962-chloro-7-fluoro-10-(4-(carbamoylethyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonateRefChem:1270433-[4-(3-chloro-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]propanamide;methanesulfonic acidVUFB 154961-Piperazinepropanamide, 4-(2-chloro-10,11-dihydro-7-fluorodibenzo(b,f)thiepin-10-yl)-, monomethanesulfonateDTXSID509092363-[4-(2-Chloro-7-fluoro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)piperazin-1-yl]propanimidic acid--methanesulfonic acid (1/1)
Database identifiers
- CAS
104821-37-6- PubChem CID
- 128683
- DTXSID
DTXSID50909236
Properties
Computed structural properties
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 640
Chemistry & industry
Applications
DescriptionCloflumide is a new neuroleptic drug
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…