Basic information
- CAS
64294-95-7- Standard SMILES
CC(OCCN1CCCCCC1)(c1ccccc1)c1ccc(Cl)cc1- InChIKey
VBSPHZOBAOWFCL-UHFFFAOYSA-N- Molecular formula
- C22H28ClNO
- Average molar mass
- 357.9 g/mol
- Monoisotopic mass
- 357.1859422
Overview
Setastine is a diarylmethane.
Names & identifiers
- Preferred name
- Setastine
- IUPAC
- 1-[2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl]azepane
- English name
- Setastine
- Molecular formula
- C22H28ClNO
- Molecular weight
- 357.92
Names & synonyms
Setastine64294-95-7SetastinaSetastinum6G3OCF528JRefChem:1826131-(2-((p-chloromethylphenylbenzyl)oxy)ethyl)hexahydro-1H-azepineSetastine [INN]1-[2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl]azepane1-(2-(1-(4-Chlorophenyl)-1-phenylethoxy)ethyl)azepane1H-Azepine, 1-[2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl]hexahydro-1-{2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl}azepane
Show more names
LoderixSetastinEGYT-2062EGIS-2062Setastine USP/EP/BPStastine in methanol1-[2-[1-(4-Chlorophenyl)-1-phenylethoxy]ethyl]hexahydro-1H-azepine
Setastinum [INN-Latin]Setastina [INN-Spanish]UNII-6G3OCF528J1H-Azepine, 1-(2-(1-(4-chlorophenyl)-1-phenylethoxy)ethyl)hexahydro-SETASTINE [MI]SETASTINE [WHO-DD]SCHEMBL30329orb1699320
Database identifiers
- CAS
64294-95-7- PubChem CID
- 43082
- DTXSID
DTXSID30867067- ChEMBL
CHEMBL1742452- ChEBI
CHEBI:135513- UNII
- 6G3OCF528J
- Nikkaji
- J19.648G
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 368
Physicochemical properties
- Boiling point
- 447.2 · 447.2±35.0 °C(Predicted)
- Density
- 1.088 · 1.088±0.06 g/cm3(Predicted)
- pka
- 8.87 · 8.87±0.20(Predicted)
- FDA UNII
- 6 G3OCF528J · 6G3OCF528J
Chemistry & industry
Applications
DescriptionSetastine is an H1-antagonist antihistamine with negligible sedative side-effects. It is reported to be effective in the treatment of allergic skin and upper respiratory diseases, with an efficacy range comparable to that of clemastine.
Upstream & downstream products
Upstream raw materials
Suppliers7 total
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
上海安谱实验科技股份有限公司18502138905 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Additional notes
DefinitionChEBI: Setastine is a diarylmethane.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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