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Chemistry

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Also known as: 1293281-49-8, Jnj-42847922, [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone, Min-202, Seltorexant [usan], (5-(4,6-dimethylpyrimidin-2-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1h)-yl)(2-fluoro-6-(2h-1,2,3-triazol-2-yl)phenyl)methanone
Molecular Formula
C21H22FN7O
Molecular Weight
407.4  g/mol
InChI Key
SQOCEMCKYDVLMM-UHFFFAOYSA-N

Seltorexant
1 2D Structure

Seltorexant

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone
2.1.2 InChI
InChI=1S/C21H22FN7O/c1-13-8-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)19-17(22)4-3-5-18(19)29-23-6-7-24-29/h3-8,15-16H,9-12H2,1-2H3
2.1.3 InChI Key
SQOCEMCKYDVLMM-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=CC(=NC(=N1)N2CC3CN(CC3C2)C(=O)C4=C(C=CC=C4F)N5N=CC=N5)C
2.2 Synonyms
2.2.1 MeSH Synonyms

1. ((3ar,6as)-5-(4,6-dimethyl-2-pyrimidinyl)hexahydropyrrolo(3,4-c)pyrrol-2(1h)-yl)(2-fluoro-6-(2h-1,2,3-triazol-2-yl)phenyl)methanone

2. Jnj-42847922

3. Methanone, ((3ar,6as)-5-(4,6-dimethyl-2-pyrimidinyl)hexahydropyrrolo(3,4-c)pyrrol-2(1h)-yl)(2-fluoro-6-(2h-1,2,3-triazol-2-yl)phenyl)-

4. Min-202

2.2.2 Depositor-Supplied Synonyms

1. 1293281-49-8

2. Jnj-42847922

3. [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone

4. Min-202

5. Seltorexant [usan]

6. (5-(4,6-dimethylpyrimidin-2-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1h)-yl)(2-fluoro-6-(2h-1,2,3-triazol-2-yl)phenyl)methanone

7. Seltorexant (usan/inn)

8. Gtpl9308

9. Schembl1671257

10. Chembl3597971

11. Jnj-922

12. Bdbm118454

13. Ex-a4759

14. Sb19652

15. Jnj42847922

16. Ac-36998

17. Hy-109012

18. Cs-0030510

19. D11269

20. E77321

21. Jnj-42847922jnj-42847922

22. Us8653263, 107

23. ((3ar,6as)-5-(4,6-dimethylpyrimidin- 2-yl)hexahydropyrrolo(3,4-c)pyrrol-2(1h)-yl)(2-fluoro- 6-(2h-1,2,3-triazol-2-yl)phenyl)methanone

24. [5-(4,6-dimethyl-pyrimidin-2-yl)-hexahydro-pyrrolo[3,4-c]pyrrol-2-yl]-(2-fluoro-6-[1,2,3]triazol-2-yl-phenyl)-methanone

2.3 Create Date
2012-11-30
3 Chemical and Physical Properties
Molecular Weight 407.4 g/mol
Molecular Formula C21H22FN7O
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass407.18698651 g/mol
Monoisotopic Mass407.18698651 g/mol
Topological Polar Surface Area80 Ų
Heavy Atom Count30
Formal Charge0
Complexity609
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Drug and Medication Information
4.1 Drug Indication

Treatment of major depressive disorder


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ABOUT THIS PAGE

Seltorexant Manufacturers

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

Seltorexant Suppliers

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

Seltorexant GMP

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

Seltorexant CoA

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

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

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