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Synopsis

Synopsis

ACTIVE PHARMA INGREDIENTS

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CEP/COS

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JDMF

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EU WC

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KDMF

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NDC API

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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

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ABOUT THIS PAGE

Looking for 652-37-9 / Acefylline API manufacturers, exporters & distributors?

Acefylline manufacturers, exporters & distributors 1

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Send us enquiries for free, and we will assist you in establishing a direct connection with your preferred Acefylline manufacturer or Acefylline supplier.

API | Excipient name

Acefylline

Synonyms

652-37-9, Theophylline-7-acetic acid, Acephylline, Theophyllineacetic acid, Carboxymethyltheophylline, Theophyllin-7-ylacetic acid

Cas Number

652-37-9

Unique Ingredient Identifier (UNII)

M494UE2YEP

About Acefylline

acefylline is a natural product found in Pogostemon cablin with data available.

DSSTox_CID_31585 Manufacturers

A DSSTox_CID_31585 manufacturer is defined as any person or entity involved in the manufacture, preparation, processing, compounding or propagation of DSSTox_CID_31585, including repackagers and relabelers. The FDA regulates DSSTox_CID_31585 manufacturers to ensure that their products comply with relevant laws and regulations and are safe and effective to use. DSSTox_CID_31585 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 DSSTox_CID_31585 manufacturers with USDMF, JDMF, KDMF, CEP, GMP, and COA related information on PhamaCompass.

DSSTox_CID_31585 Suppliers

A DSSTox_CID_31585 supplier is an individual or a company that provides DSSTox_CID_31585 active pharmaceutical ingredient (API) or DSSTox_CID_31585 finished formulations upon request. The DSSTox_CID_31585 suppliers may include DSSTox_CID_31585 API manufacturers, exporters, distributors and traders.

click here to find a list of DSSTox_CID_31585 suppliers with USDMF, JDMF, KDMF, CEP, GMP, and COA related information on PharmaCompass.

DSSTox_CID_31585 GMP

DSSTox_CID_31585 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 DSSTox_CID_31585 GMP manufacturers, exporters & distributors, which can be sorted by USDMF, JDMF, KDMF, CEP (COS), WC, and more, enabling you to easily find the right DSSTox_CID_31585 GMP manufacturer or DSSTox_CID_31585 GMP API supplier for your needs.

DSSTox_CID_31585 CoA

A DSSTox_CID_31585 CoA (Certificate of Analysis) is a formal document that attests to DSSTox_CID_31585's compliance with DSSTox_CID_31585 specifications and serves as a tool for batch-level quality control.

DSSTox_CID_31585 CoA mostly includes findings from lab analyses of a specific batch. For each DSSTox_CID_31585 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.

DSSTox_CID_31585 may be tested according to a variety of international standards, such as European Pharmacopoeia (DSSTox_CID_31585 EP), DSSTox_CID_31585 JP (Japanese Pharmacopeia) and the US Pharmacopoeia (DSSTox_CID_31585 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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