Basic information
- CAS
136861-96-6- Standard SMILES
CS(=O)(=O)Nc1ccc(C(=O)C2CCN(CC(=O)c3ccc(F)cc3)CC2)cc1.Cl- InChIKey
YVIOSUWCZDHHEI-UHFFFAOYSA-N- Molecular formula
- C21H24ClFN2O4S
- Average molar mass
- 454.9 g/mol
- Monoisotopic mass
- 454.1129343
Names & identifiers
- Preferred name
- Mdl 28133A
- IUPAC
- N-[4-[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidine-4-carbonyl]phenyl]methanesulfonamide;hydrochloride
- English name
- MDL 28133A
- Molecular formula
- C21H24ClFN2O4S
- Molecular weight
- 454.94
Names & synonyms
136861-96-6Mdl 28133AMdl-28,133ADTXSID60159987Methanesulfonamide, N-(4-((1-(2-(4-fluorophenyl)-2-oxoethyl)-4-piperidinyl)carbonyl)phenyl)-, monohydrochlorideRefChem:156139DTXCID2082478MDL-28133AMethanesulfonamide, N-[4-[[1-[2-(4-fluorophenyl)-2-oxoethyl]-4-piperidinyl]carbonyl]phenyl]-, hydrochloride (1:1)orb17386301-(4-Fluorophenyl)-2-(4-((4-methanosulfonamidophenyl)carbonyl)-1-piperidinyl)ethanone hydrochlorideN-(4-{1-[2-(4-Fluorophenyl)-2-oxoethyl]piperidine-4-carbonyl}phenyl)methanesulfonamide--hydrogen chloride (1/1)
Database identifiers
- CAS
136861-96-6- PubChem CID
- 132001
- DTXSID
DTXSID60159987
Properties
Computed structural properties
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 669
Chemistry & industry
Applications
DescriptionMDL-28133A is a 5-HT2 receptor antagonist.
Suppliers2 total
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…