Basic information
- CAS
64099-44-1- Standard SMILES
CN(C)S(=O)(=O)c1ccc2c(c1)N(C1CN3CCC1CC3)c1ccccc1S2- InChIKey
HTHHBTMNLHMBHQ-UHFFFAOYSA-N- Molecular formula
- C21H25N3O2S2
- Average molar mass
- 415.6 g/mol
- Monoisotopic mass
- 415.1388194
Names & identifiers
- Preferred name
- Quisultidine
- IUPAC
- 10-(1-azabicyclo[2.2.2]octan-3-yl)-N,N-dimethylphenothiazine-2-sulfonamide
- English name
- quisultazine
- Molecular formula
- C21H25N3O2S2
- Molecular weight
- 415.57
Names & synonyms
QuisultazineQuisultidine64099-44-1quisultazina60J29WG4Q610H-Phenothiazine-2-sulfonamide, 10-(1-azabicyclo(2.2.2)oct-3-yl)-N,N-dimethyl-N,N-dimethylsulfamoyl-2-(quinuclidinyl-3)-10-phenothiazinequisultazinumRefChem:178394264-671-3Quisultazine [INN]10-(1-azabicyclo[2.2.2]octan-3-yl)-N,N-dimethylphenothiazine-2-sulfonamide
Show more names
N,N-Dimethyl-10-(quinuclidin-3-yl)-10H-phenothiazine-2-sulfonamide10-(1-Azabicyclo[2.2.2]oct-3-yl)-N,N-dimethyl-10H-phenothiazine-2-sulfonamide10H-Phenothiazine-2-sulfonamide, 10-(1-azabicyclo[2.2.2]oct-3-yl)-N,N-dimethyl-
LM 24056QuisultidinaQuisultidinumN,N-Dimethyl-10-(3-quinuclidinyl)phenothiazine-2-sulfonamideQuisultidinum [INN-Latin]Quisultidina [INN-Spanish]UNII-60J29WG4Q6EINECS 264-671-3
Database identifiers
- CAS
64099-44-1- PubChem CID
- 68833
- DTXSID
DTXSID40867053
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 77.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 672
Physicochemical properties
- Boiling point
- 582.5 · 582.5±60.0 °C(Predicted)
- Density
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- pka
- 9.62 · 9.62±0.33(Predicted)
- FDA UNII
- 60 J29WG4Q6 · 60J29WG4Q6
Chemistry & industry
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
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