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Chemistry

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Also known as: 652-37-9, Theophylline-7-acetic acid, Acephylline, Theophyllineacetic acid, Carboxymethyltheophylline, Theophyllin-7-ylacetic acid
Molecular Formula
C9H10N4O4
Molecular Weight
238.20  g/mol
InChI Key
HCYFGRCYSCXKNQ-UHFFFAOYSA-N
FDA UNII
M494UE2YEP

Acefylline
acefylline is a natural product found in Pogostemon cablin with data available.
1 2D Structure

Acefylline

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid
2.1.2 InChI
InChI=1S/C9H10N4O4/c1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15/h4H,3H2,1-2H3,(H,14,15)
2.1.3 InChI Key
HCYFGRCYSCXKNQ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)O
2.2 Other Identifiers
2.2.1 UNII
M494UE2YEP
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 7-theophyllineacetic Acid

2. Acefylline, Sodium Salt

3. Acephylline

4. Theophylline-7-acetic Acid

2.3.2 Depositor-Supplied Synonyms

1. 652-37-9

2. Theophylline-7-acetic Acid

3. Acephylline

4. Theophyllineacetic Acid

5. Carboxymethyltheophylline

6. Theophyllin-7-ylacetic Acid

7. 7-(carboxymethyl)theophylline

8. 7-theophyllineacetic Acid

9. 7-theophyllinylacetic Acid

10. 1,3-dimethylxanthine-7-acetic Acid

11. Nsc 52996

12. (1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7h-purin-7-yl)acetic Acid

13. 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic Acid

14. Purine-7-acetic Acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-

15. Caffeine Carboxylic Acid

16. 2-(1,3-dimethyl-2,6-dioxo-2,3-dihydro-1h-purin-7(6h)-yl)acetic Acid

17. Mfcd00022832

18. Nsc-52996

19. Doxophylline Metabolite M2

20. M494ue2yep

21. 7h-purine-7-acetic Acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-

22. Chembl70246

23. 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxopurine-7-acetic Acid

24. 2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-7-yl)acetic Acid

25. 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7h-purin-7-yl)acetic Acid

26. 7-theophyllinessigsaeure

27. 7-theophyllinylessigsaeure

28. Einecs 211-490-2

29. Unii-m494ue2yep

30. Brn 0279221

31. Acide Theophylline-ethanoique-7 [french]

32. Acide Theophylline-ethanoique-7

33. Acetyloxytheophylline

34. Aminodal (salt/mix)

35. Theophylline-acetic Acid

36. Acefylline [mi]

37. Acepifylline (salt/mix)

38. Theophylline 7-acetic Acid

39. Ec 211-490-2

40. 2-(p-chlorphenoxy)-2-methylpropyl 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxopurine-7-acetate

41. Acefylline [who-dd]

42. Dsstox_cid_31585

43. Dsstox_rid_97469

44. Dsstox_gsid_57796

45. Oprea1_398884

46. 5-26-14-00088 (beilstein Handbook Reference)

47. Mls001032052

48. Schembl308514

49. Lczc2430

50. Dtxsid6057796

51. Chebi:94615

52. Zinc57633

53. Hms3714e15

54. Hms3885c16

55. Acefylline Sodium Salt (salt/mix)

56. Hy-b1505

57. Nsc52996

58. Tox21_113765

59. Bbl027883

60. Bdbm50113248

61. Stk801809

62. 7h-purine-7-aceticacid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-

63. Akos000120359

64. Caffeine Carboxylic Acid [inci]

65. Ccg-106578

66. Cs-7963

67. Db13573

68. Ncgc00253638-01

69. Cas-652-37-9

70. Smr000718632

71. Ts-00694

72. Db-054784

73. Ft-0632754

74. S3988

75. T2941

76. Theophylline-7-acetic Acid, >=99.0% (t)

77. A16822

78. D82360

79. A835035

80. Af-684/00246037

81. Sr-01000898401

82. 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)acetic Acid

83. Q-201818

84. Q4673059

85. Sr-01000898401-2

86. F0849-4607

87. Z112207552

88. Acefylline;theophyllineacetic Acid; Theophylline-7-acetic Acid

89. Theophilline-7-acetic Acid (1,3-dimethylxantine-7-acetic Acid)

90. 7h-purine-7-acetic Acid,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-

91. Purine-7-acetic Acid,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-

92. (1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7h-purin-7-yl)acetic Acid #

93. (1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-acetic Acid

94. 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxopurine-7-acetic A

95. 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7h-purin-7-yl)aceticacid

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 238.20 g/mol
Molecular Formula C9H10N4O4
XLogP3-0.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass238.07020481 g/mol
Monoisotopic Mass238.07020481 g/mol
Topological Polar Surface Area95.7 Ų
Heavy Atom Count17
Formal Charge0
Complexity385
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

API Reference Price

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-","customer":"TO THE ORDER OF","customerCountry":"PAKISTAN","quantity":"2.50","actualQuantity":"2.5","unit":"KGS","unitRateFc":"260","totalValueFC":"544.9","currency":"USD","unitRateINR":18392,"date":"26-Nov-2024","totalValueINR":"45980","totalValueInUsd":"544.9","indian_port":"Bombay Air","hs_no":"29395900","bill_no":"5919224","productDescription":"API","marketType":"LESS REGULATED MARKET","country":"PAKISTAN","selfForZScoreResived":"Pharma Grade","supplierPort":"Bombay Air","supplierAddress":"16\/2,STERLING CENTER,4TH FLOOR,DR.A, MUMBAI ,MAHARASHTRA","customerAddress":""}]
19-Jan-2021
26-Nov-2024
KGS
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Average Price (USD/KGS)

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Total Value (USD)

Quantity (KGS) & Unit rate (USD/KGS) over time

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ABOUT THIS PAGE

Acefylline Manufacturers

A Acefylline manufacturer is defined as any person or entity involved in the manufacture, preparation, processing, compounding or propagation of Acefylline, including repackagers and relabelers. The FDA regulates Acefylline manufacturers to ensure that their products comply with relevant laws and regulations and are safe and effective to use. Acefylline API Manufacturers are required to adhere to Good Manufacturing Practices (GMP) to ensure that their products are consistently manufactured to meet established quality criteria.

click here to find a list of Acefylline manufacturers with USDMF, JDMF, KDMF, CEP, GMP, COA and API Price related information on PhamaCompass.

Acefylline Suppliers

A Acefylline supplier is an individual or a company that provides Acefylline active pharmaceutical ingredient (API) or Acefylline finished formulations upon request. The Acefylline suppliers may include Acefylline API manufacturers, exporters, distributors and traders.

click here to find a list of Acefylline suppliers with USDMF, JDMF, KDMF, CEP, GMP, COA and API Price related information on PharmaCompass.

Acefylline WC

A Acefylline written confirmation (Acefylline WC) is an official document issued by a regulatory agency to a Acefylline manufacturer, verifying that the manufacturing facility of a Acefylline active pharmaceutical ingredient (API) adheres to the Good Manufacturing Practices (GMP) regulations of the importing country. When exporting Acefylline APIs or Acefylline finished pharmaceutical products to another nation, regulatory agencies frequently require a Acefylline WC (written confirmation) as part of the regulatory process.

click here to find a list of Acefylline suppliers with Written Confirmation (WC) on PharmaCompass.

Acefylline GMP

Acefylline Active pharmaceutical ingredient (API) is produced in GMP-certified manufacturing facility.

GMP stands for Good Manufacturing Practices, which is a system used in the pharmaceutical industry to make sure that goods are regularly produced and monitored in accordance with quality standards. The FDA’s current Good Manufacturing Practices requirements are referred to as cGMP or current GMP which indicates that the company follows the most recent GMP specifications. The World Health Organization (WHO) has its own set of GMP guidelines, called the WHO GMP. Different countries can also set their own guidelines for GMP like China (Chinese GMP) or the EU (EU GMP).

PharmaCompass offers a list of Acefylline GMP manufacturers, exporters & distributors, which can be sorted by USDMF, JDMF, KDMF, CEP (COS), WC, API price, and more, enabling you to easily find the right Acefylline GMP manufacturer or Acefylline GMP API supplier for your needs.

Acefylline CoA

A Acefylline CoA (Certificate of Analysis) is a formal document that attests to Acefylline's compliance with Acefylline specifications and serves as a tool for batch-level quality control.

Acefylline CoA mostly includes findings from lab analyses of a specific batch. For each Acefylline CoA document that a company creates, the USFDA specifies specific requirements, such as supplier information, material identification, transportation data, evidence of conformity and signature data.

Acefylline may be tested according to a variety of international standards, such as European Pharmacopoeia (Acefylline EP), Acefylline JP (Japanese Pharmacopeia) and the US Pharmacopoeia (Acefylline USP).

Inform the supplier about your product requirements, specifying if you need a product with particular monograph like EP (Ph. Eur.), USP, JP, BP, or any other quality. In addition, clarify whether you need hydrochloride (HCl), anhydricum, base, micronisatum or a specific level of purity. To find reputable suppliers, utilize the filters and select those certified by GMP, FDA, or any other certification as per your requirement.
For your convenience, we have listed synonyms and CAS numbers to help you find the best supplier. The use of synonyms and CAS numbers can be helpful in identifying potential suppliers, but it is crucial to note that they might not always indicate the exact same product. It is important to confirm the product details with the supplier before making a purchase to ensure that it meets your requirements.
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