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Sequifenadine

CAT: 0931-T60864-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T60864-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
57734-69-7
Target
Others, Histamine Receptor
Related Pathways
Neuroscience, GPCR/G Protein, Immunology/Inflammation, Others
Bioactivity
Sequifenadine has the potential in researching of inflammatory eye disease with allergic symptoms that is a H1-antihistamine [1] [2].
Smiles
C(O)(C1C2CCN(C1)CC2)(C3=C(C)C=CC=C3)C4=C(C)C=CC=C4
Molecular Formula
C22H27NO
Molecular Weight
321.46
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Sequifenadine
CAS Number57734-69-7
PubChem CID42553
IUPAC Name1-azabicyclo[2.2.2]octan-3-yl-bis(2-methylphenyl)methanol
Molecular FormulaC22H27NO
Molecular Weight321.5
XLogP4.1
Topological Polar Surface Area23.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity406
SMILES
CC1=CC=CC=C1C(C2CN3CCC2CC3)(C4=CC=CC=C4C)O
InChI
InChI=1S/C22H27NO/c1-16-7-3-5-9-19(16)22(24,20-10-6-4-8-17(20)2)21-15-23-13-11-18(21)12-14-23/h3-10,18,21,24H,11-15H2,1-2H3
InChIKey
OXDOWGVJMITMJL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sequifenadine
CAS: 57734-69-7
CID: 42553
Formula: C22H27NO
MW: 321.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight321.5
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass321.209264485
Monoisotopic Mass321.209264485
Topological Polar Surface Area23.5 Ų
Heavy Atom Count24
Formal Charge0
Complexity406
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19187594-01Sequifenadine

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