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Imiquimod(CAS No. 99011-02-6)

Imiquimod C14H16N4 (cas 99011-02-6) Molecular Structure

99011-02-6 Structure

Identification and Related Records

【Name】
Imiquimod
【CAS Registry number】
99011-02-6
【Synonyms】
Aldara
4-Amino-1-isobutyl-1H-imidazo(4,5-c)quinoline
1H-Imidazo(4,5-c)quinolin-4-amine, 1-(2-methylpropyl)-
【Molecular Formula】
C14H16N4 (Products with the same molecular formula)
【Molecular Weight】
240.30364
【MOL File】
99011-02-6.mol

Chemical and Physical Properties

【Appearance】
White to off white crystalline powder
【Density】
1.28 g/cm3
【Melting Point】
292-294°C
【Boiling Point】
456.7 °C at 760 mmHg
【Flash Point】
230 °C
【Water】
Soluble
【Solubilities】
Soluble
【Stability】
Incompatible with strong oxidizing agents.
【Storage temp】
Store in original container in a cool dark place.
【Computed Properties】
Molecular Weight:240.30364 [g/mol]
Molecular Formula:C14H16N4
XLogP3-AA:2.6
H-Bond Donor:1
H-Bond Acceptor:1
Rotatable Bond Count:2
Tautomer Count:2
Exact Mass:240.137497
MonoIsotopic Mass:240.137497
Topological Polar Surface Area:56.7
Heavy Atom Count:18
Formal Charge:0
Complexity:294
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Donor Count:1
Feature 3D Cation Count:2
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:3
Effective Rotor Count:2
Conformer Sampling RMSD:0.6
CID Conformer Count:3

Safety and Handling

【Hazard Codes】
T: Toxic;Xi: Irritant;
【Risk Statements】
R25;R36/37/38
【Safety Statements 】
S26;S27;S36/37/39;S45
【Safety】

Safety Information about Imiquimod (CAS NO.99011-02-6):
Hazard Codes:?ToxicT,IrritantXi
Risk Statements: 25-36/37/38
R25 :Toxic if swallowed.?
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-45-36/37/39-27
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)?
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.?
S27:Take off immediately all contaminated clothing.
RIDADR: UN 2811 6.1/PG 3
Adverse side effects have been reported, in some cases serious and systemic, resulting in the revision of warning labels.

【Transport】
HAZARD
【Specification】

? Imiquimod , with CAS number of 99011-02-6, can be called 4-Amino-1-isobutyl-1H-imidazo(4,5-c)quinoline ; 1H-Imidazo(4,5-c)quinolin-4-amine, 1-(2-methylpropyl)- ; 1H-Imidazo[4,5-c]quinolin-4-amine, 1-(2-methylpropyl)- . It is a?white to off white crystalline powder.

Use and Manufacturing

【Usage】

An immune response modifier. It stimulates the production of interferon-a

Biomedical Effects and Toxicity

【Biological Activity】
Immunomodulator that displays antiviral and antitumor activity. Acts as a Toll-like receptor 7 (TLR-7) agonist; stimulates proinflammatory cytokine production and activates NF- κ B.

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