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Chemistry

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Also known as: 173997-05-2, Syn117, Nepicastat [inn], Syn-117, 4-(aminomethyl)-3-[(2s)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-1h-imidazole-2-thione, Vpg12k4540
Molecular Formula
C14H15F2N3S
Molecular Weight
295.35  g/mol
InChI Key
YZZVIKDAOTXDEB-JTQLQIEISA-N
FDA UNII
VPG12K4540

Nepicastat
Nepicastat has been investigated for the treatment of Cocaine Dependence and Posttraumatic Stress Disorder.
1 2D Structure

Nepicastat

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-(aminomethyl)-3-[(2S)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-imidazole-2-thione
2.1.2 InChI
InChI=1S/C14H15F2N3S/c15-9-3-8-4-10(1-2-12(8)13(16)5-9)19-11(6-17)7-18-14(19)20/h3,5,7,10H,1-2,4,6,17H2,(H,18,20)/t10-/m0/s1
2.1.3 InChI Key
YZZVIKDAOTXDEB-JTQLQIEISA-N
2.1.4 Canonical SMILES
C1CC2=C(CC1N3C(=CNC3=S)CN)C=C(C=C2F)F
2.1.5 Isomeric SMILES
C1CC2=C(C[C@H]1N3C(=CNC3=S)CN)C=C(C=C2F)F
2.2 Other Identifiers
2.2.1 UNII
VPG12K4540
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 5-aminomethyl-1-(5,7-difluoro-1,2,3,4-tetrahydronaphth-2-yl)-1,3-dihydroimidazole-2-thione

2. Rs 25560-197

3. Rs-25560-197

2.3.2 Depositor-Supplied Synonyms

1. 173997-05-2

2. Syn117

3. Nepicastat [inn]

4. Syn-117

5. 4-(aminomethyl)-3-[(2s)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-1h-imidazole-2-thione

6. Vpg12k4540

7. 5-(aminomethyl)-1-((s)-5,7-difluoro-1,2,3,4-tetrahydro-2-naphthyl)-4-imidazoline-2-thione

8. (s)-5-(aminomethyl)-1-(5,7-difluoro-1,2,3,4-tetrahydro-naphthalen-2-yl)-1h-imidazole-2(3h)-thione

9. Rs-25560-197

10. (s)-5-aminomethyl-1-(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-dihydroimidazole-2-thione

11. (s)-5-(aminomethyl)-1-(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1h-imidazole-2(3h)-thione

12. 2h-imidazole-2-thione, 5-(aminomethyl)-1-[(2s)-5,7-difluoro-1,2,3,4-tetrahydro-2-naphthalenyl]-1,3-dihydro-

13. Nepicastatum

14. Unii-vpg12k4540

15. Schembl662220

16. Gtpl6630

17. Chembl1188395

18. Dtxsid80169740

19. Chebi:139334

20. Bcp05303

21. Zinc3936852

22. Akos016001464

23. Bcp9000983

24. Cs-0515

25. Db12979

26. Ncgc00346651-01

27. Ncgc00346651-09

28. (s)-5-(aminomethyl)-1-(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-dihydro-2h-imidazole-2-thione

29. Ac-27759

30. Hy-13289

31. Rs-25560

32. Syn117;rs-25560-197

33. Q6593941

34. (s)-5-(aminomethyl)-1-(5,7-difluoro-1,2,3,4-tetrahydro-2-naphthalenyl)-1,3-dihydro-2h-imidazole-2-thione

35. 2h-imidazole-2-thione,5-(aminomethyl)-1- (5,7-difluoro-1,2,3,4-tetrahydro-2- Naphthalenyl)-1,3-dihydro-,(s)-

36. 2h-imidazole-2-thione,5-(aminomethyl)-1-(5,7-difluoro-1,2,3,4-tetrahydro-2-naphthalenyl)-1,3-dihydro-,(s)-

37. 5-(aminomethyl)-1-[(2s)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-1,3-dihydro-2h-imidazole-2-thione

38. 5-(aminomethyl)-1-[(2s)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-3h-imidazole-2-thione

2.4 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 295.35 g/mol
Molecular Formula C14H15F2N3S
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass295.09547499 g/mol
Monoisotopic Mass295.09547499 g/mol
Topological Polar Surface Area73.4 Ų
Heavy Atom Count20
Formal Charge0
Complexity429
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

ABOUT THIS PAGE

Looking for 173997-05-2 / Nepicastat API manufacturers, exporters & distributors?

Nepicastat manufacturers, exporters & distributors 1

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PharmaCompass offers a list of Nepicastat 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 Nepicastat manufacturer or Nepicastat supplier for your needs.

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

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

API | Excipient name

Nepicastat

Synonyms

173997-05-2, Syn117, Nepicastat [inn], Syn-117, 4-(aminomethyl)-3-[(2s)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-1h-imidazole-2-thione, Vpg12k4540

Cas Number

173997-05-2

Unique Ingredient Identifier (UNII)

VPG12K4540

About Nepicastat

Nepicastat has been investigated for the treatment of Cocaine Dependence and Posttraumatic Stress Disorder.

Nepicastat Manufacturers

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

Nepicastat Suppliers

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

Nepicastat GMP

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

Nepicastat CoA

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

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

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