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Chemistry

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Also known as: 73536-69-3, Bifendatatum, Dimethyl 7,7'-dimethoxy-[4,4'-bibenzo[d][1,3]dioxole]-5,5'-dicarboxylate, .alpha.-ddb, Bifendate,(s), Methyl 7-methoxy-4-(7-methoxy-5-methoxycarbonyl-1,3-benzodioxol-4-yl)-1,3-benzodioxole-5-carboxylate
Molecular Formula
C20H18O10
Molecular Weight
418.3  g/mol
InChI Key
JMZOMFYRADAWOG-UHFFFAOYSA-N
FDA UNII
0G32E321W1

Bifendate
1 2D Structure

Bifendate

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
methyl 7-methoxy-4-(7-methoxy-5-methoxycarbonyl-1,3-benzodioxol-4-yl)-1,3-benzodioxole-5-carboxylate
2.1.2 InChI
InChI=1S/C20H18O10/c1-23-11-5-9(19(21)25-3)13(17-15(11)27-7-29-17)14-10(20(22)26-4)6-12(24-2)16-18(14)30-8-28-16/h5-6H,7-8H2,1-4H3
2.1.3 InChI Key
JMZOMFYRADAWOG-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC1=C2C(=C(C(=C1)C(=O)OC)C3=C4C(=C(C=C3C(=O)OC)OC)OCO4)OCO2
2.2 Other Identifiers
2.2.1 UNII
0G32E321W1
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 7,7'-dimethoxy-(4,4'-bi-1,3-benzodioxole)-5,5'-dicarboxylic Acid Dimethyl Ester

2. Alpha-diphenyldicarboxylate

3. Bdd

4. Biphenyl Dimethyl-dicarboxylate

5. Dimethyl 4,4'-dimethoxy-5,6,5',6'-dimethylenedioxybiphenyl-2,2'-dicarboxylate

6. Dimethyl Diphenyl Bicarboxylate

7. Diphenyl Dimethyl Dicarboxylate

2.3.2 Depositor-Supplied Synonyms

1. 73536-69-3

2. Bifendatatum

3. Dimethyl 7,7'-dimethoxy-[4,4'-bibenzo[d][1,3]dioxole]-5,5'-dicarboxylate

4. .alpha.-ddb

5. Bifendate,(s)

6. Methyl 7-methoxy-4-(7-methoxy-5-methoxycarbonyl-1,3-benzodioxol-4-yl)-1,3-benzodioxole-5-carboxylate

7. 7,7'-dimethoxy-(4,4'-bi-1,3-benzodioxole)-5,5'-dicarboxylic Acid Dimethyl Ester

8. Dimethyl Dicarboxylate Biphenyl

9. Diphenyl Dimethyl Bicarboxylate

10. Mfcd01751431

11. 0g32e321w1

12. Alpha-diphenyldicarboxylate

13. Biphenyl Dimethyl-dicarboxylate

14. Diphenyl Dimethyl Dicarboxylate

15. Ccris 7767

16. Brn 5461320

17. Dimethyl Diphenyl Bicarboxylate

18. Unii-0g32e321w1

19. Dimethyl 7,7'-dimethoxy-(4,4'-bi-1,3-benzodioxole)-5,5'-dicarboxylate

20. Dimethyl-4,4'-dimethoxyl-5,6,5',6'-dimethylenedioxybiphenyl-2,2'-dicarboxylate

21. Bifendate [who-dd]

22. Dimethyl 4,4'-dimethoxy-5,6,5',6'-bis(methylenedioxy)biphenyl-2,2'-dicarboxylate

23. Schembl896166

24. Chembl105184

25. Dtxsid40223736

26. Bcp12613

27. Bdbm50289527

28. S4890

29. Zinc12153845

30. Akos015895317

31. Ccg-268865

32. Cs-w019577

33. Hy-w018791

34. Sb67338

35. (4,4'-bi-1,3-benzodioxole)-5,5'-dicarboxylic Acid, 7,7'-dimethoxy-, Dimethyl Ester

36. As-13115

37. Sy021274

38. B6112

39. Ft-0602821

40. 536b693

41. A866077

42. Q27236735

43. 2,2'-dimethoxycarbonyl-4,4'-dimethoxy-5,6,5',6'-bismethylenedioxybiphenyl

44. Dimethyl 7,7'-dimethoxy-4,4'-bibenzo[d][1,3]dioxole-5,5'-dicarboxylate

45. Dimethyl7,7'-dimethoxy-[4,4'-bibenzo[d][1,3]dioxole]-5,5'-dicarboxylate

46. [4,4'-bi-1,3-benzodioxole]-5,5'-dicarboxylic Acid, 7,7'-dimethoxy-,dimethyl Ester

47. Dimethyl-4,4'-dimethoxy-5,6,5',6'-dimethylenedioxybiphenyl-2,2'-dicarboxylate

48. (4,4'-bi-1,3-benzodioxole)-5,5'-dicarboxylic Acid, 7,7'-dimethoxy-, 5,5'-dimethyl Ester

49. Dimethyl 7,7 Inverted Exclamation Mark -dimethoxy-[4,4 Inverted Exclamation Mark -bi-1,3-benzodioxole]-5,5 Inverted Exclamation Mark -dicarboxylate

2.4 Create Date
2005-08-01
3 Chemical and Physical Properties
Molecular Weight 418.3 g/mol
Molecular Formula C20H18O10
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass418.08999677 g/mol
Monoisotopic Mass418.08999677 g/mol
Topological Polar Surface Area108 Ų
Heavy Atom Count30
Formal Charge0
Complexity587
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Adjuvants, Immunologic

Substances that augment, stimulate, activate, potentiate, or modulate the immune response at either the cellular or humoral level. The classical agents (Freund's adjuvant, BCG, Corynebacterium parvum, et al.) contain bacterial antigens. Some are endogenous (e.g., histamine, interferon, transfer factor, tuftsin, interleukin-1). Their mode of action is either non-specific, resulting in increased immune responsiveness to a wide variety of antigens, or antigen-specific, i.e., affecting a restricted type of immune response to a narrow group of antigens. The therapeutic efficacy of many biological response modifiers is related to their antigen-specific immunoadjuvanticity. (See all compounds classified as Adjuvants, Immunologic.)


Enzyme Inhibitors

Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. (See all compounds classified as Enzyme Inhibitors.)


Cytochrome P-450 Enzyme Inhibitors

Drugs and compounds which inhibit or antagonize the biosynthesis or actions of CYTOCHROME P-450 ENZYMES. (See all compounds classified as Cytochrome P-450 Enzyme Inhibitors.)


4.2 Metabolism/Metabolites

Bifendate has known human metabolites that include Mono-O-demethylated bdd and methyl 4-(2,3-dihydroxy-4-methoxy-6-methoxycarbonylphenyl)-7-methoxy-1,3-benzodioxole-5-carboxylate.

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


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ABOUT THIS PAGE

Bifendate Manufacturers

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

Bifendate Suppliers

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

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

Bifendate KDMF

In Korea, the Ministry of Food and Drug Safety (MFDS) is in charge of regulating pharmaceutical products and services.

Pharmaceutical companies submit a Bifendate Drug Master File in Korea (Bifendate KDMF) to the MFDS, which includes comprehensive information about the production, processing, facilities, materials, packaging, and testing of Bifendate. The MFDS reviews the Bifendate KDMF as part of the drug registration process and uses the information provided in the Bifendate KDMF to evaluate the safety and efficacy of the drug.

After submitting a Bifendate KDMF to the MFDS, the registered manufacturer can provide importers or distributors with the registration number without revealing confidential information to Korean business partners. Applicants seeking to register their Bifendate API can apply through the Korea Drug Master File (KDMF).

click here to find a list of Bifendate suppliers with KDMF on PharmaCompass.

Bifendate GMP

Bifendate 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 Bifendate 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 Bifendate GMP manufacturer or Bifendate GMP API supplier for your needs.

Bifendate CoA

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

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

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