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Drug

D1390 | Caffeine

Molecular Formula C8H10N4O2
Molecular Weight 194.19
Structure
State solid
Volume of distribution * 0.8 to 0.9 L/kg [infants] * 0.6 L/kg [adults]
Route of elimination In young infants, the elimination of caffeine is much slower than that in adults due to immature hepatic and/or renal function.
Protein binding Low (25 to 36%).
Half life 3 to 7 hours in adults, 65 to 130 hours in neonates
Absorption Readily absorbed after oral or parenteral administration. The peak plasma level for caffeine range from 6-10mg/L and the mean time to reach peak concentration ranged from 30 minutes to 2 hours.

V

N

R

V04CG30 Caffeine and sodium benzoate


[V04CG] Tests for gastric secretion


[V04C] OTHER DIAGNOSTIC AGENTS


[V04] DIAGNOSTIC AGENTS


[V] Various ATC structures

R03DA20 Combinations of xanthines


[R03DA] Xanthines


[R03D] OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES


[R03] DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES


[R] Respiratory system

N06BC01 Caffeine


[N06BC] Xanthine derivatives


[N06B] PSYCHOSTIMULANTS, AGENTS USED FOR ADHD AND NOOTROPICS


[N06] PSYCHOANALEPTICS


[N] Nervous system

Toxicity Dose Time Species Model Method Action Positive criterion Reference
OPENING OF PERMEABILITY TRANSITION PORE (PTP) > 100 µM 1 hour Human HepG2 High-content screening assay Negative MEC 306
MEMBRANE POTENTIAL > 400 µM 30 mins mouse liver mitochondria Rh123 fluorescence (excitation 485 nm, emission 535 nm) are recorded using a fluorescence multi-well plate reader (mCICCP (20 µM) treatments was considered as the 100% baseline for ΔΨm loss) decrease EC20 36
MEMBRANE POTENTIAL > 100 µM 1 hour Human HepG2 High-content screening assay Negative MEC 306
RESPIRATION > 400 µM 60 mins mouse liver mitochondria Oxygen consumption was monitored with 50nM MitoXpress ( an oxygen-sensitive phosphorescent dye) using a spectrofluorimeter (Tecan Infinite 200; λExcitation 380nm; λEmission 650nm). Rotenone (2µM) was used as 100% baseline for complex I inhibition. decrease EC20 36
RESPIRATION > 400 µM 60 mins mouse liver mitochondria Oxygen consumption was monitored with 50nM MitoXpress ( an oxygen-sensitive phosphorescent dye) using a spectrofluorimeter (Tecan Infinite 200; λExcitation 380nm; λEmission 650nm). Oligomycin A (1µM) was used as 100% baseline for complex II inhibition. decrease EC20 36
SWELLING > 400 µM 30 mins mouse liver mitochondria swelling assay: Absorbance at 545 nm using a fluorescence multi-well plate reader (CaCl2 (50 µM) was considered as the 100% baseline for the swelling ) increase EC20 36
ROS PRODUCTION > 100 µM 1 hour Human HepG2 High-content screening assay Negative MEC 306

Target Dose Time Species Model Method Action Positive criterion Reference
NADH:ubiquinone reductase > 400 µM 60 mins mouse liver mitochondria Oxygen consumption was monitored with 50nM MitoXpress ( an oxygen-sensitive phosphorescent dye) using a spectrofluorimeter (Tecan Infinite 200; λExcitation 380nm; λEmission 650nm). Rotenone (2µM) was used as 100% baseline for complex I inhibition. inhibit EC20 36
Succinate dehydrogenase > 400 µM 60 mins mouse liver mitochondria Oxygen consumption was monitored with 50nM MitoXpress ( an oxygen-sensitive phosphorescent dye) using a spectrofluorimeter (Tecan Infinite 200; λExcitation 380nm; λEmission 650nm). Oligomycin A (1µM) was used as 100% baseline for complex II inhibition. inhibit EC20 36
Reactive oxygen species > 100 µM 1 hour Human HepG2 High-content screening assay Negative MEC 306
Cytochrome c > 400 µM 30 mins mouse liver mitochondria Cytochrome c release was evaluated using ELISA kit ( 20 µg/ml Alamethicin was used as 100% baseline) release EC20 36

Pictogram Signal Statements Precautionary Statement Codes
Warning

H302: Harmful if swallowed [Warning Acute toxicity, oral]


 P264, P270, P301+P312, P330, and P501; (The corresponding statement to each P-code can be found at the GHS Classification page.)
Warning

Aggregated GHS information provided by 2331 companies from 7 notifications to the ECHA C&L Inventory.


Reported as not meeting GHS hazard criteria by 2 of 2331 companies. For more detailed information, please visit ECHA C&L website


Of the 6 notification(s) provided by 2329 of 2331 companies with hazard statement code(s):


H302 (99.66%): Harmful if swallowed [Warning Acute toxicity, oral]


Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.


 P264, P270, P301+P312, P330, and P501; (The corresponding statement to each P-code can be found at the GHS Classification page.)
Warning

H302: Harmful if swallowed [Warning Acute toxicity, oral]


 P264, P270, P301+P312, P330, and P501; (The corresponding statement to each P-code can be found at the GHS Classification page.)
Danger

H301: Toxic if swallowed [Danger Acute toxicity, oral]


H332: Harmful if inhaled [Warning Acute toxicity, inhalation]


H360: May damage fertility or the unborn child [Danger Reproductive toxicity]


 P201, P202, P261, P264, P270, P271, P281, P301+P310, P304+P312, P304+P340, P308+P313, P312, P321, P330, P405, and P501; (The corresponding statement to each P-code can be found at the GHS Classification page.)


  • DrugBank DB00201
    CAS Number 114303-55-8, 37317-82-1, 5743-12-4, 58-08-2, 72238-85-8, 95789-13-2
    PubChem Compound 2519