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Chemistry

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Also known as: 169939-94-0, Ly-333531, Ruboxistaurin [inn], Ly 333531, Ly333531, 721809wqcp
Molecular Formula
C28H28N4O3
Molecular Weight
468.5  g/mol
InChI Key
ZCBUQCWBWNUWSU-SFHVURJKSA-N
FDA UNII
721809WQCP

Ruboxistaurin
Ruboxistaurin has been investigated for the basic science of Type 2 Diabetes Mellitus and Type 1 Diabetes Mellitus.
1 2D Structure

Ruboxistaurin

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-triazahexacyclo[19.6.1.17,14.02,6.08,13.022,27]nonacosa-1(28),2(6),7(29),8,10,12,22,24,26-nonaene-3,5-dione
2.1.2 InChI
InChI=1S/C28H28N4O3/c1-30(2)15-18-11-12-31-16-21(19-7-3-5-9-23(19)31)25-26(28(34)29-27(25)33)22-17-32(13-14-35-18)24-10-6-4-8-20(22)24/h3-10,16-18H,11-15H2,1-2H3,(H,29,33,34)/t18-/m0/s1
2.1.3 InChI Key
ZCBUQCWBWNUWSU-SFHVURJKSA-N
2.1.4 Canonical SMILES
CN(C)CC1CCN2C=C(C3=CC=CC=C32)C4=C(C5=CN(CCO1)C6=CC=CC=C65)C(=O)NC4=O
2.1.5 Isomeric SMILES
CN(C)C[C@@H]1CCN2C=C(C3=CC=CC=C32)C4=C(C5=CN(CCO1)C6=CC=CC=C65)C(=O)NC4=O
2.2 Other Identifiers
2.2.1 UNII
721809WQCP
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 13-((dimethylamino)methyl)-10,11,14,15-tetrahydro-4,9:16,21-dimetheno-1h,13h-dibenzo(e,k)pyrrolo(3,4-h)(1,4,13)oxadiazacyclohexadecene-1,3(2h)-dione

2. Arxxant

3. Ly 333531

4. Ly-333531

5. Ruboxistaurin Mesilate Hydrate

2.3.2 Depositor-Supplied Synonyms

1. 169939-94-0

2. Ly-333531

3. Ruboxistaurin [inn]

4. Ly 333531

5. Ly333531

6. 721809wqcp

7. K00587a

8. (18s)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-triazahexacyclo[19.6.1.17,14.02,6.08,13.022,27]nonacosa-1(28),2(6),7(29),8,10,12,22,24,26-nonaene-3,5-dione

9. Chembl432130

10. (9s)-9-[(dimethylamino)methyl]-6,7,10,11-tetrahydro-9h,18h-5,21:12,17-di(metheno)dibenzo[e,k]pyrrolo[3,4-h][1,4,13]oxadiazacyclohexadecine-18,20(19h)-dione

11. 9h,18h-5,21:12,17-dimethenodibenzo(e,k)pyrrolo(3,4-h)(1,4,13)oxadiazacyclohexadecine-18,20(19h)-dione, 9-((dimethylamino)methyl)-6,7,10,11-tetrahydro-, (9s)-

12. Unii-721809wqcp

13. 13-((dimethylamino)methyl)-10,11,14,15-tetrahydro-4,9:16,21-dimetheno-1h,13h-dibenzo(e,k)pyrrolo(3,4-h)(1,4,13)oxadiazacyclohexadecene-1,3(2h)-dione

14. (9r)-9-[(dimethylamino)methyl]-6,7,10,11-tetrahydro-9h,18h-5,21:12,17-dimethenodibenzo[e,k]pyrrolo[3,4-h][1,4,13]oxadiazacyclohexadecine-18,20-dione

15. 9h,18h-5,21:12,17-dimethenodibenzo[e,k]pyrrolo[3,4-h][1,4,13]oxadiazacyclohexadecine-18,20(19h)-dione, 9-[(dimethylamino)methyl]-6,7,10,11-tetrahydro-, (9s)-

16. Ly4

17. 1uu3

18. Ruboxistaurin [mi]

19. Ruboxistaurin; Ly333531

20. Ruboxistaurin [vandf]

21. Chembl91829

22. Ruboxistaurin [mart.]

23. Ruboxistaurin [who-dd]

24. Cid_153999

25. Gtpl5263

26. Schembl2496701

27. Bdbm17055

28. Dtxsid00168775

29. Ex-a2313

30. Zinc3812168

31. Bdbm50128281

32. Nsc800873

33. Db11829

34. Nsc-800873

35. Zacyclohexadecine-18,20-dione

36. (9s)-9-((dimethylamino)methyl)-6,7,10,11-tetrahydro-9h,19h-5,21:12,17-dimethenodibenzo(e,k)pyrrolo(3,4-h)(1,4,13)oxadiazacyclohexadecene-18,20-dione

37. (s)-9-[(dimethylamino)methyl]-6,7,10,11-tetrahydro-9h,18h-5,21:12,17-dimethenodibenzo[e,k]pyrrolo[3,4-h][1,4,13]oxadiazacyclohexadecine-18,20(19h)-dione

38. Ac-35844

39. Hy-10195

40. Cs-0002500

41. Ly-333,531

42. A12399

43. A902568

44. Q7376181

45. (18s)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-triazahexacyclo[19.6.1.1;{7,14}.0;{2,6}.0;{8,13}.0;{22,27}]nonacosa-1(28),2(6),7(29),8(13),9,11,22(27),23,25-nonaene-3,5-dione

46. (9r)-9-[(dimethylamino)methyl]-6,7,10,11-tetrahydro-9h,18h-5,21:12,17-dimethenodibenzo[e,k]pyrrolo[3,4-h][1,4,13]oxadia

47. 18-dimethylaminomethyl-(18s)-17-oxa-4,14,21-triazahexacyclo[19.6.1.17,14.02,6.08,13.022,27]nonacosa-1(28),2(6),7(29),8(13),9,11,22(27),23,25-nonaene-3,5-dione; Methane Sulphonic Acid Salt

2.4 Create Date
2005-06-24
3 Chemical and Physical Properties
Molecular Weight 468.5 g/mol
Molecular Formula C28H28N4O3
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass468.21614077 g/mol
Monoisotopic Mass468.21614077 g/mol
Topological Polar Surface Area68.5 Ų
Heavy Atom Count35
Formal Charge0
Complexity872
Isotope Atom Count0
Defined Atom Stereocenter Count1
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

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.)


4.2 Metabolism/Metabolites

Ruboxistaurin has known human metabolites that include N-desmethyl LY333531.

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


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Ruboxistaurin manufacturers, exporters & distributors 1

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

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

PharmaCompass also assists you with knowing the Ruboxistaurin API Price utilized in the formulation of products. Ruboxistaurin API Price is not always fixed or binding as the Ruboxistaurin Price is obtained through a variety of data sources. The Ruboxistaurin Price can also vary due to multiple factors, including market conditions, regulatory modifications, or negotiated pricing deals.

API | Excipient name

Ruboxistaurin

Synonyms

169939-94-0, Ly-333531, Ruboxistaurin [inn], Ly 333531, Ly333531, 721809wqcp

Cas Number

169939-94-0

Unique Ingredient Identifier (UNII)

721809WQCP

About Ruboxistaurin

Ruboxistaurin has been investigated for the basic science of Type 2 Diabetes Mellitus and Type 1 Diabetes Mellitus.

Ruboxistaurin Manufacturers

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

Ruboxistaurin Suppliers

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

Ruboxistaurin GMP

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

Ruboxistaurin CoA

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

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

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