Interquim comes from an international group of 50 companies active in the pharma, hospital, diagnostics, fine chemicals & feed sectors.

Virtual Booth

Contact Supplier

Rusan Pharma: Over 30 years of specializing in the treatment of Addiction and Pain Management.

ACCESS ALL DATA
Browse all information
CHEMISTRY
Discover Molecule Insights

ACTIVE PHARMA INGREDIENTS

$ API Reference Price

$ API Reference Price

DIGITAL CONTENT

1 NEWS #PharmaBuzz

media
1 NEWS #PharmaBuzz

ANALYTICAL

2 BioAnalytical Methods

otherMethods
2 BioAnalytical Methods

Synopsis

ACTIVE PHARMA INGREDIENTS

API Suppliers

USDMF

CEP/COS

JDMF

EU WC

KDMF

NDC API

VMF

Listed Suppliers

API REF. PRICE (USD/KG)

$ 1,300

MARKET PLACE

API

FDF

0INTERMEDIATES

FINISHED DOSAGE FORMULATIONS

FDF Dossiers

FDA Orange Book

Europe

Canada

Australia

South Africa

Listed Dossiers

0 DRUGS IN DEVELOPMENT

DRUG PRODUCT COMPOSITIONS

REF. STANDARDS OR IMPURITIES

EDQM

USP

Others

PATENTS & EXCLUSIVITIES

US Patents

US Exclusivities

Health Canada Patents

DIGITAL CONTENT

Data Compilation #PharmaFlow

Stock Recap #PipelineProspector

Weekly News Recap #Phispers

News #PharmaBuzz

GLOBAL SALES INFORMATION

US Medicaid (USD)

Annual Reports (USD Million)

Finished Drug Prices

0RELATED EXCIPIENT COMPANIES

0EXCIPIENTS BY APPLICATIONS

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: 1,7-dimethylxanthine, 611-59-6, P-xanthine, 1h-purine-2,6-dione, 3,7-dihydro-1,7-dimethyl-, 1,7-dimethyl-3h-purine-2,6-dione, 3,7-dihydro-1,7-dimethyl-1h-purine-2,6-dione

Molecular Formula

C₇H₈N₄O₂

Molecular Weight

180.16 g/mol

InChI Key

QUNWUDVFRNGTCO-UHFFFAOYSA-N

FDA UNII

Q3565Y41V7

p-xanthine is a natural product found in Mus musculus, Citrus maxima, and other organisms with data available.

1 2D Structure

Paraxanthine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1,7-dimethyl-3H-purine-2,6-dione

2.1.2 InChI

InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13)

2.1.3 InChI Key

QUNWUDVFRNGTCO-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2)C

2.2 Other Identifiers

2.2.1 UNII

Q3565Y41V7

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 1,7-dimethylxanthine

2.3.2 Depositor-Supplied Synonyms

1. 1,7-dimethylxanthine

2. 611-59-6

3. P-xanthine

4. 1h-purine-2,6-dione, 3,7-dihydro-1,7-dimethyl-

5. 1,7-dimethyl-3h-purine-2,6-dione

6. 3,7-dihydro-1,7-dimethyl-1h-purine-2,6-dione

7. Xanthine, 1,7-dimethyl-

8. Caffeine Impurity F

9. 1,7-dimethyl-3,7-dihydro-1h-purine-2,6-dione

10. 1,7-dimethyl-xanthine

11. Chembl1158

12. Chebi:25858

13. Nsc-400018

14. Q3565y41v7

15. 1,7-dimethyl-2,3,6,7-tetrahydro-1h-purine-2,6-dione

16. Einecs 210-271-9

17. Nsc 400018

18. Brn 0197907

19. Unii-q3565y41v7

20. Mfcd00005727

21. Paraxanthine(72%)

22. Spectrum2_001733

23. Spectrum3_000774

24. Spectrum4_001207

25. Spectrum5_001506

26. Lopac-d-5385

27. Paraxanthine [inci]

28. Dsstox_cid_30853

29. Dsstox_gsid_52281

30. Lopac0_000389

31. Bspbio_002448

32. Kbiogr_001614

33. 5-26-13-00554 (beilstein Handbook Reference)

34. Mls000859929

35. Divk1c_000081

36. Schembl232702

37. Spectrum2300170

38. Spbio_001806

39. Schembl4651937

40. Dtxsid2052281

41. Hms500e03

42. Kbio1_000081

43. Kbio3_001668

44. Ninds_000081

45. Hms2231k19

46. Hms3261m19

47. Hms3370a12

48. Zinc120234

49. Tox21_303803

50. Tox21_500389

51. Bdbm50042210

52. Ccg-39489

53. Nsc400018

54. 1,7-dimethylxanthine, ~98%, Solid

55. Akos015913484

56. Cs-w017214

57. Hy-w016498

58. Lp00389

59. Sdccgsbi-0050376.p003

60. 1,7-dimethylxanthine-[13c4,15n3]

61. Idi1_000081

62. Ncgc00015347-01

63. Ncgc00015347-02

64. Ncgc00015347-03

65. Ncgc00015347-04

66. Ncgc00015347-05

67. Ncgc00015347-06

68. Ncgc00015347-07

69. Ncgc00015347-09

70. Ncgc00093817-01

71. Ncgc00093817-02

72. Ncgc00093817-03

73. Ncgc00093817-04

74. Ncgc00261074-01

75. Ncgc00357087-01

76. As-64037

77. Caffeine Impurity F [ep Impurity]

78. Cas-611-59-6

79. Smr000326790

80. Db-005072

81. Eur J Pharmacol 179: 295 (1990)

82. 1h-purine-2, 3,7-dihydro-1,7-dimethyl-

83. 3-(4-methoxy-1-naphthyl)acrylicacid

84. D5696

85. Eu-0100389

86. Ft-0632550

87. Ft-0673516

88. D 5385

89. D94772

90. 1,7-dimethylxanthine 100 Microg/ml In Methanol

91. A853055

92. Q419223

93. Sr-01000075184

94. 1,7-dimethyl-3,7-dihydro-1h-purine-2,6-dione #

95. 1,7-dimethylxanthine 100 Microg/ml In Acetonitrile

96. Sr-01000075184-1

97. Brd-k24084088-001-02-2

98. Brd-k24084088-001-06-3

99. Caffeine Monohydrate Impurity F [ep Impurity]

100. 1,7-dimethyl-3,7-dihydro-1h-purine-2,6-dione (paraxanthine; 1,7-dimethylxanthine)

101. Paraxanthine Solution, 1.0 Mg/ml In Methanol, Ampule Of 1 Ml, Certified Reference Material

102. 1,7-dimethyl-3,7-dihydro- 1h-purine-2,6-dione (caffeine Impurity F), Pharmaceutical Secondary Standard; Certified Reference Material

2.4 Create Date

2004-09-16

3 Chemical and Physical Properties

Molecular Formula	C₇H₈N₄O₂
Molecular Weight	180.16 g/mol
XLogP3	-0.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	180.06472551 g/mol
Monoisotopic Mass	180.06472551 g/mol
Topological Polar Surface Area	67.2 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	267
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

4 Pharmacology and Biochemistry

4.1 Metabolism/Metabolites

Paraxanthine has known human metabolites that include 1,7-Dimethyluric acid and 1-Methylxanthine.

Paraxanthine is a known human metabolite of caffeine.

S73 | METXBIODB | Metabolite Reaction Database from BioTransformer | DOI:10.5281/zenodo.4056560

Digital Content

Create Content with PharmaCompass, ask us

NEWS #PharmaBuzz

ANALYTICAL

Upload your methods for free, ask us

BioAnalytical Methods

FULL SCREEN VIEW Click here to open all results in a new tab [this preview display 10 results]

ABOUT THIS PAGE

Find Paraxanthine manufacturers, exporters & distributors on PharmaCompass

Paraxanthine

ACCESS ALL DATA

Browse all information

CHEMISTRY

Discover Molecule Insights

ACTIVE PHARMA INGREDIENTS

$ API Reference Price

DIGITAL CONTENT

1 NEWS #PharmaBuzz

ANALYTICAL

2 BioAnalytical Methods

ACTIVE PHARMA INGREDIENTS

API REF. PRICE (USD/KG)

$ 1,300

MARKET PLACE

0INTERMEDIATES

FINISHED DOSAGE FORMULATIONS

0 DRUGS IN DEVELOPMENT

DRUG PRODUCT COMPOSITIONS

REF. STANDARDS OR IMPURITIES

PATENTS & EXCLUSIVITIES

DIGITAL CONTENT

GLOBAL SALES INFORMATION

0RELATED EXCIPIENT COMPANIES

0EXCIPIENTS BY APPLICATIONS

What are you looking for?