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Substance Name: Caffeine, citrated [NF]
RN: 69-22-7
UNII: U26EO4675Q
InChIKey: RCQXSQPPHJPGOF-UHFFFAOYSA-N

Notes

  • A methylxanthine naturally occurring in some beverages and also used as a pharmacological agent. Caffeine's most notable pharmacological effect is as a central nervous system stimulant, increasing alertness and producing agitation. It also relaxes smooth muscle, stimulates cardiac muscle, stimulates diuresis, and appears to be useful in the treatment of some types of headache. Several cellular actions of caffeine have been observed, but it is not entirely clear how each contributes to its pharmacological profile. Among the most important are inhibition of cyclic nucleotide phosphodiesterases, antagonism of adenosine receptors, and modulation of intracellular calcium handling.
  • Used for prophylaxis and treatment of apnea in preterm babies.

Molecular Formula

  • C8-H10-N4-O2.C6-H8-O7

Molecular Weight

  • 386.3152
 

Classification Codes

  • Central Nervous System Agents
  • Central Nervous System Stimulants
  • Drug / Therapeutic Agent
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Names and Synonyms

Name of Substance

  • Caffeine citrate
  • Caffeine, citrated [NF]

Synonyms

  • Cafcit
  • Caffeina citrate
  • Caffeine citrate
  • Caffeine citrate (1:1)
  • Caffeine, citrated
  • Citrated caffein
  • Citric acid, compd. with caffeine (1:1)
  • UNII-U26EO4675Q

Systematic Name

  • 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, mixt. with 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione

Registry Numbers

CAS Registry Number

  • 69-22-7

FDA UNII

  • U26EO4675Q

Other Registry Numbers

  • 2406-91-9
  • 8003-10-9

System Generated Number

  • 0000069227

Molecular Formulas

Molecular Formula

  • C8-H10-N4-O2.C6-H8-O7

Molecular Formula Fragments

  • C6-H8-O7
  • C8-H10-N4-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C8H10N4O2.C6H8O7/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;7-3(8)1-6(13,5(11)12)2-4(9)10/h4H,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

RCQXSQPPHJPGOF-UHFFFAOYSA-N

Smiles

CN1C(=O)N(C)c2ncn(C)c2C1=O.OC(=O)CC(O)(CC(=O)O)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 540mg/kg (540mg/kg)   United States Patent Document. Vol. #3755326,
mouse LD50 intravenous 49mg/kg (49mg/kg)   British Journal of Pharmacology and Chemotherapy. Vol. 17, Pg. 196, 1961.
mouse LD50 oral 356mg/kg (356mg/kg)   British Journal of Pharmacology and Chemotherapy. Vol. 17, Pg. 196, 1961.
rat LDLo intraperitoneal 300mg/kg (300mg/kg) BEHAVIORAL: TREMOR Indian Journal of Experimental Biology. Vol. 27, Pg. 1048, 1989.