Basic information
- CAS
57734-69-7- Standard SMILES
Cc1ccccc1C(O)(c1ccccc1C)C1CN2CCC1CC2- InChIKey
OXDOWGVJMITMJL-UHFFFAOYSA-N- Molecular formula
- C22H27NO
- Average molar mass
- 321.5 g/mol
- Monoisotopic mass
- 321.20926449
Names & identifiers
- Preferred name
- Sequifenadine
- IUPAC
- 1-azabicyclo[2.2.2]octan-3-yl-bis(2-methylphenyl)methanol
- English name
- Sequifenadine
- Molecular formula
- C22H27NO
- Molecular weight
- 321.46
Names & synonyms
Sequifenadine57734-69-7SequifenadinaSequifenadine [INN]SequifenadinumSequifenadinum [Latin]Sequifenadina [Spanish]C7Q3TBR3FPBRN 1548429alpha,alpha-Di-o-tolyl-3-quinuclidinemethanolBenzhydrol, 2,2'-dimethyl-alpha-(3-quinuclidinyl)-SEQUIFENADINE [MART.]
Show more names
bicarpheneXynclydyl-3-di(o-tolyl)carbynolα,α-Bis(2-methylphenyl)-3-quinuclidinemethanol1-azabicyclo[2.2.2]octan-3-yl-bis(2-methylphenyl)methanolα,α-Bis(2-methylphenyl)-1-azabicyclo[2.2.2]octane-3-methanol1-Azabicyclo[2.2.2]octane-3-methanol, α,α-bis(2-methylphenyl)-
SEQUIFENADINE [WHO-DD]3-Quinuclidinemethanol, alpha,alpha-di-o-tolyl-Sequifenadinum (Latin)SEQUIFENADINE (MART.){1-azabicyclo[2.2.2]octan-3-yl}bis(2-methylphenyl)methanol(1-azabicyclo(2.2.2)octan-3-yl)bis(2-methylphenyl)methanol(1-Azabicyclo[2.2.2]octan-3-yl)bis(2-methylphenyl)methanolRefChem:884906
Database identifiers
- CAS
57734-69-7- PubChem CID
- 42553
- DTXSID
DTXSID40866647- ChEMBL
CHEMBL2105505- UNII
- C7Q3TBR3FP
- Nikkaji
- J33.112K
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 406
Physicochemical properties
- Melting point
- 238 · 238-240 °C
- Boiling point
- 455 · 455.0±40.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- pka
- 13.28 · 13.28±0.29(Predicted)
- FDA UNII
- 7 Q3TBR3FP · C7Q3TBR3FP
- ATC code
- 6 AX32 · R06AX32
Chemistry & industry
Pharmacology
ATC Code
R - Respiratory system
QR - Respiratory system
Applications
UsesSequifenadine is a H1-antihistamine. Sequifenadine has the potential for the research of inflammatory eye disease with allergic symptoms[1][2].
Suppliers3 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）4008200310 15002144251 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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