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Astemizole

CAT: 1410-M15631-02Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M15631-02Size:1 mL x 10 mM in DMSO
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Antihistamine drug now withdrawn from the market in many countries because of rare but potentially fatal side effects.
CAS Number
68844-77-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
458.58
Molecular Formula
C28H31FN4O
Notes
Research use only, not for human use.
Receptor
H1 receptor| Potassium Channel

Chemical Information

Astemizole

Astemizole is a piperidine compound having a 2-(4-methoxyphenyl)ethyl group at the 1-position and an N-[(4-fluorobenzyl)benzimidazol-2-yl]amino group at the 4-position. It has a role as an anticoronaviral agent, a H1-receptor antagonist and an anti-allergic agent. It is a member of benzimidazoles and a member of piperidines.

CAS Number68844-77-9
PubChem CID2247
IUPAC Name1-[(4-fluorophenyl)methyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine
Molecular FormulaC28H31FN4O
Molecular Weight458.6
XLogP6
Topological Polar Surface Area42.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count34
Formal Charge0
Complexity599
SMILES
COC1=CC=C(C=C1)CCN2CCC(CC2)NC3=NC4=CC=CC=C4N3CC5=CC=C(C=C5)F
InChI
InChI=1S/C28H31FN4O/c1-34-25-12-8-21(9-13-25)14-17-32-18-15-24(16-19-32)30-28-31-26-4-2-3-5-27(26)33(28)20-22-6-10-23(29)11-7-22/h2-13,24H,14-20H2,1H3,(H,30,31)
InChIKey
GXDALQBWZGODGZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Astemizole
CAS: 68844-77-9
CID: 2247
Formula: C28H31FN4O
MW: 458.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight458.6
XLogP36
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass458.24818979
Monoisotopic Mass458.24818979
Topological Polar Surface Area42.3 Ų
Heavy Atom Count34
Formal Charge0
Complexity599
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T1278-01Astemizole

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