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Imiquimod hydrochloride

CAT: 0931-T22091-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T22091-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
99011-78-6
Target
TLR
Related Pathways
Immunology/Inflammation
Purity
0.9998
Bioactivity
Imiquimod hydrochloride (R 837 hydrochloride) is a selective toll-like receptor 7 (TLR7) agonist and immune response modulator with antiviral and antitumor activities. It is used in the study of external genital warts, perianal warts, cancer, COVID-19, pemphigus foliaceus, skin cancer, and psoriasis, and is commonly employed to establish psoriasis models.
Smiles
Cl.CC(C)Cn1cnc2c(N)nc3ccccc3c12
Molecular Formula
C14H17ClN4
Molecular Weight
276.77
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Imiquimod hydrochloride
CAS Number99011-78-6
PubChem CID13982876
IUPAC Name1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;hydrochloride
Molecular FormulaC14H17ClN4
Molecular Weight276.76
Topological Polar Surface Area56.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity294
SMILES
CC(C)CN1C=NC2=C1C3=CC=CC=C3N=C2N.Cl
InChI
InChI=1S/C14H16N4.ClH/c1-9(2)7-18-8-16-12-13(18)10-5-3-4-6-11(10)17-14(12)15;/h3-6,8-9H,7H2,1-2H3,(H2,15,17);1H
InChIKey
RGKLRAHQVIHCCH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Imiquimod hydrochloride
CAS: 99011-78-6
CID: 13982876
Formula: C14H17ClN4
MW: 276.76
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight276.76
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass276.1141743
Monoisotopic Mass276.1141743
Topological Polar Surface Area56.7 Ų
Heavy Atom Count19
Formal Charge0
Complexity294
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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