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Resiquimod-d5

CAT: 0572-TRC-R144682-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-R144682-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2252319-44-9
Synonyms
1-[4-Amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol-d5; 4-Amino-2-(ethoxymethyl)-1-(2-hydroxyisobutyl)imidazo[4,5-c]quinoline-d5; 4-Amino-2-ethoxymethyl-α,α-dimethyl-1H-imidazo[4,5-c]quinoline-1-ethanol-d5; R 848-d5; Resiquimod-d5; S 28463-d5;
Hazard Statement
Not a hazardous substance according to GHS.
Smiles
NC1=C(N=C(COC([2H])([2H])C([2H])([2H])[2H])N2CC(C)(C)O)C2=C(C=CC=C3)C3=N1
Molecular Formula
C17H17D5N4O2
Molecular Weight
319.41
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Resiquimod-D5
CAS Number2252319-44-9
PubChem CID149852872
IUPAC Name1-[4-amino-2-(1,1,2,2,2-pentadeuterioethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
Molecular FormulaC17H22N4O2
Molecular Weight319.41
XLogP1.3
Topological Polar Surface Area86.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity406
SMILES
[2H]C([2H])([2H])C([2H])([2H])OCC1=NC2=C(N1CC(C)(C)O)C3=CC=CC=C3N=C2N
InChI
InChI=1S/C17H22N4O2/c1-4-23-9-13-20-14-15(21(13)10-17(2,3)22)11-7-5-6-8-12(11)19-16(14)18/h5-8,22H,4,9-10H2,1-3H3,(H2,18,19)/i1D3,4D2
InChIKey
BXNMTOQRYBFHNZ-SGEUAGPISA-N
Chemical Structure
2D Structure
2D structure of Resiquimod-D5
CAS: 2252319-44-9
CID: 149852872
Formula: C17H22N4O2
MW: 319.41
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight319.41
XLogP31.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass319.20565969
Monoisotopic Mass319.20565969
Topological Polar Surface Area86.2 Ų
Heavy Atom Count23
Formal Charge0
Complexity406
Isotope Atom Count5
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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