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Chemistry

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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
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

Caffeine Citrate

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


API SUPPLIERS

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Zeon Pharma Industries India Pvt L...

India

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

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Virtual BoothZeon Pharma is a manufacturer and supplier of APIs & Intermediates.

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Zeon Pharma Industries India Pvt Ltd

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Pharm-RX Chemical

U.S.A

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Virtual BoothPharm-Rx is a reputed global importer and distributor of pharmaceutical active ingredients.

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Pharm RX

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Inga Pharmaceuticals

India

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Inga Pharmaceuticals

India

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Caffeine Citrate (BP)

Date of Issue : 2019-04-01

Valid Till : 2022-03-31

Written Confirmation Number : WC-307

Address of the Firm : Plot no.B-1(pt), Phase II, Zone-A Mepz-Special Economic Zone NH-45, Tambaram, Ch...

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Virtual BoothZeon Pharma is a manufacturer and supplier of APIs & Intermediates.

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Caffeine Citrate

About the Company : Zeon Pharma Industries India Pvt ltd is an ISO & GMP certified manufacturer of Bulk drugs & Intermediate and also supplies our associate manufacturing plant API / Semi finish form...

Zeon Pharma Industries India Pvt ltd is an ISO & GMP certified manufacturer of Bulk drugs & Intermediate and also supplies our associate manufacturing plant API / Semi finish formulations/Excipients, Phytochemicals/Enzymes & Intermediate and also has a GMP certified Manufacturing facility for Phytochemicals/Herbal extract and Enzymes through our associates.
Zeon Pharma Industries India Pvt Ltd

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Virtual BoothPharm-Rx is a reputed global importer and distributor of pharmaceutical active ingredients.

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Caffeine Citrate

About the Company : Pharm-Rx has earned an outstanding reputation since its establishment in 1991, serving as a reputable importer and distributor of active ingredients to the pharmaceutical, nutritio...

Pharm-Rx has earned an outstanding reputation since its establishment in 1991, serving as a reputable importer and distributor of active ingredients to the pharmaceutical, nutritional supplement, and food industries. The company maintains an exceptionally selective approach to its suppliers, personally visiting manufacturers overseas to ensure the highest standards. The sustained growth of Pharm-Rx can be attributed to its steadfast commitment to three core values: quality ingredients, competitive pricing, and unparalleled customer service.
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Caffeine Citrate

About the Company : Inga Pharmaceuticals (Inga), established in 1980, is involved in the cultivation, isolation and extraction of actives from plant sources. The Corporate Office is located in Mumbai ...

Inga Pharmaceuticals (Inga), established in 1980, is involved in the cultivation, isolation and extraction of actives from plant sources. The Corporate Office is located in Mumbai & the manufacturing facility is located at Chennai. Plants required for the isolation of active principles are cultivated by the company at its own farms and those of its associates in India, Africa and the Americas. Inga has established excellent relations with it's customers in 60 countries through its dedicated service for the last 5 decades.
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API Reference Price

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15-Mar-2021
11-Sep-2024
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