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    Caffeine Citrate

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

    RELATED EXCIPIENT COMPANIES

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    2D Structure
    Also known as: 69-22-7, Caffeine, citrated, Cafcit, Caffeine citrated, Citrated caffeine, 1,2,3-propanetricarboxylic acid, 2-hydroxy-, mixt. with 3,7-dihydro-1,3,7-trimethyl-1h-purine-2,6-dione
    Molecular Formula
    C14H18N4O9
    Molecular Weight
    386.31  g/mol
    InChI Key
    RCQXSQPPHJPGOF-UHFFFAOYSA-N
    FDA UNII
    U26EO4675Q
    Caffeine Citrate is commercial citrate of caffeine, though not a definite salt. It is the alkaloid caffeine, with a portion of adherent citric acid, as indicated by its pharmacopoeial name (citrated caffeine). Its general action and uses are the same as those given under caffeine. Caffeine citrate is used chiefly as a remedy for the idiopathic headache (migraine). This salt is very soluble in water, and is assimilated much more readily than pure caffeine when taken into the stomach. (NCI04)
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-hydroxypropane-1,2,3-tricarboxylic acid;1,3,7-trimethylpurine-2,6-dione
    2.1.2 InChI
    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)
    2.1.3 InChI Key
    RCQXSQPPHJPGOF-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN1C=NC2=C1C(=O)N(C(=O)N2C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    U26EO4675Q
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Cafcit

    2.3.2 Depositor-Supplied Synonyms

    1. 69-22-7

    2. Caffeine, Citrated

    3. Cafcit

    4. Caffeine Citrated

    5. Citrated Caffeine

    6. 1,2,3-propanetricarboxylic Acid, 2-hydroxy-, Mixt. With 3,7-dihydro-1,3,7-trimethyl-1h-purine-2,6-dione

    7. Caffeine Mixture With Citric Acid

    8. U26eo4675q

    9. 2-hydroxypropane-1,2,3-tricarboxylic Acid;1,3,7-trimethylpurine-2,6-dione

    10. Ncgc00015208-09

    11. Caffeina Citrate

    12. Citrated Caffein

    13. Dsstox_cid_26938

    14. Dsstox_rid_82023

    15. Dsstox_gsid_46938

    16. Caffeine Citrate (1:1)

    17. Cas-69-22-7

    18. Caffeinecitrated

    19. Caffeine, Citrated [nf]

    20. Citric Acid, Compd. With Caffeine (1:1)

    21. Unii-u26eo4675q

    22. Cafcit (tn)

    23. Caffeine Citrate (usp)

    24. Caffeine-citric Acid 1/1

    25. Schembl452067

    26. Chembl1200569

    27. Dtxsid5046938

    28. Caffeine Citrate [mart.]

    29. Citrated Caffeine [vandf]

    30. Caffeine Citrate [who-dd]

    31. Caffeine Citrate [ema Epar]

    32. Nsc63248

    33. Tox21_110099

    34. Nsc-63248

    35. Akos030254796

    36. Caffeine Citrate [orange Book]

    37. Tox21_110099_1

    38. Caffeine Citrate [usp Impurity]

    39. Ncgc00015208-19

    40. 1,2,3-propanetricarboxylic Acid,2-hydroxy-,compounds,mixt. With 3,7-dihydro-1,3,7-trimethyl-1h-purine-2,6- Dione

    41. Db-055239

    42. Ft-0623368

    43. Caffeine Mixture With Citric Acid [mi]

    44. D07603

    45. Q2974480

    46. 3,7-dihydro-1,3,7-trimethyl-1h-purine-2,6-dione Citrate

    47. 1,3,7-trimethyl-1h-purine-2,6(3h,7h)-dione 2-hydroxypropane-1,2,3-tricarboxylate

    48. 1h-purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-, 2-hydroxypropane-1,2,3-tricarboxylate

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 386.31 g/mol
    Molecular Formula C14H18N4O9
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count5
    Exact Mass386.10737816 g/mol
    Monoisotopic Mass386.10737816 g/mol
    Topological Polar Surface Area191 Ų
    Heavy Atom Count27
    Formal Charge0
    Complexity520
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Drug and Medication Information
    4.1 Drug Information
    1 of 2  
    Drug NameCaffeine citrate
    PubMed HealthCaffeine Citrate
    Drug ClassesCNS Stimulant, Stimulant, Respiratory
    Drug LabelBoth Caffeine Citrate Injection, USP for intravenous administration and Caffeine Citrate Oral Solution, USP are clear, colorless, sterile, non-pyrogenic, preservative-free, aqueous solutions adjusted to pH 4.7. Each mL contains 20 mg caffeine citrate...
    Active IngredientCaffeine citrate
    Dosage FormSolution
    RouteIntravenous; Oral
    Strengtheq 30mg base/3ml (eq 10mg base/ml)
    Market StatusPrescription
    CompanyExela Pharma Science; Exela Pharma Scs; Fresenius Kabi Usa; Luitpold; Sagent Pharms; Sun Pharma Global

    2 of 2  
    Drug NameCaffeine citrate
    PubMed HealthCaffeine Citrate
    Drug ClassesCNS Stimulant, Stimulant, Respiratory
    Drug LabelBoth Caffeine Citrate Injection, USP for intravenous administration and Caffeine Citrate Oral Solution, USP are clear, colorless, sterile, non-pyrogenic, preservative-free, aqueous solutions adjusted to pH 4.7. Each mL contains 20 mg caffeine citrate...
    Active IngredientCaffeine citrate
    Dosage FormSolution
    RouteIntravenous; Oral
    Strengtheq 30mg base/3ml (eq 10mg base/ml)
    Market StatusPrescription
    CompanyExela Pharma Science; Exela Pharma Scs; Fresenius Kabi Usa; Luitpold; Sagent Pharms; Sun Pharma Global

    4.2 Drug Indication

    Treatment of primary apnoea of premature newborns.

    5 Pharmacology and Biochemistry
    5.1 MeSH Pharmacological Classification

    Central Nervous System Stimulants

    A loosely defined group of drugs that tend to increase behavioral alertness, agitation, or excitation. They work by a variety of mechanisms, but usually not by direct excitation of neurons. The many drugs that have such actions as side effects to their main therapeutic use are not included here. (See all compounds classified as Central Nervous System Stimulants.)

    5.2 FDA Pharmacological Classification
    5.2.1 Pharmacological Classes
    Central Nervous System Stimulation [PE]; Methylxanthine [EPC]; Xanthines [CS]; Central Nervous System Stimulant [EPC]
    5.3 ATC Code

    N06BC01