Basic information
- CAS
30279-49-3- Standard SMILES
NS(=O)(=O)c1ccc(N2C(=O)CC(c3ccccc3)C2=O)c(Cl)c1- InChIKey
JUIHCCIFJCSFON-UHFFFAOYSA-N- Molecular formula
- C16H13ClN2O4S
- Average molar mass
- 364.8 g/mol
- Monoisotopic mass
- 364.0284558
Overview
Suclofenide is a member of pyrrolidines.
Names & identifiers
- Preferred name
- 3-Chloro-4-(2,5-dioxo-3-phenyl-1-pyrrolidinyl)benzenesulfonamide
- IUPAC
- 3-chloro-4-(2,5-dioxo-3-phenylpyrrolidin-1-yl)benzenesulfonamide
- English name
- suclofenide
- Molecular formula
- C16H13ClN2O4S
- Molecular weight
- 364.8
Names & synonyms
Suclofenide30279-49-3NeosulfalepsineSuclofenidaSuclofenidum3-Chloro-4-(phenylsuccinimido)benzenesulfonamide3-Chloro-4-(2,5-dioxo-3-phenyl-1-pyrrolidinyl)benzenesulfonamide3V0537Z59QRefChem:186391250-111-53-chloro-4-(2,5-dioxo-3-phenylpyrrolidin-1-yl)benzenesulfonamideNeosulfalepsine;PB385
Show more names
PB385Benzoicacid,3,4,6-tris(phenylmethoxy)-3-Chloro-4-(3-phenyl-2,5-dioxopyrrolidin-1-yl)benzenesulfonamideBenzenesulfonamide, 3-chloro-4-(2,5-dioxo-3-phenyl-1-pyrrolidinyl)-
SulfalepsineSuclofenide [INN:BAN]Suclofenidum [INN-Latin]Suclofenida [INN-Spanish]CGP 8426EINECS 250-111-5GS 385PB 385
Database identifiers
- CAS
30279-49-3- PubChem CID
- 72094
- DTXSID
DTXSID60865536
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 612
Physicochemical properties
- Melting point
- 205 · 205-207°
- Boiling point
- 677.1 · 677.1±65.0 °C(Predicted)
- Density
- 1.507 · 1.507±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- pka
- 9.56 · 9.56±0.60(Predicted)
- FDA UNII
- 3 V0537Z59Q · 3V0537Z59Q
- Toxicity
- 50 orally · LD50 orally in mice: >5000 mg/kg (Mikes)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 orally in mice: >5000 mg/kg (Mikes)
Chemistry & industry
Applications
UsesSuclofenide (Neosulfalepsine; PB385) is an anticonvulsant that affects GABA metabolism.
Suppliers7 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
武汉德拜技术有限公司18086626237 18086626237 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
Additional notes
DefinitionChEBI: Suclofenide is a member of pyrrolidines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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