Seqens is an integrated global leader in pharmaceutical solutions & specialty ingredients & provides custom-made solutions.

Virtual Booth

Contact Supplier

AbbVie CDMO has been working with global companies to develop, manufacture & scale biopharmaceutical products.

ACCESS ALL DATA
Browse all information
CHEMISTRY
Discover Molecule Insights

ACTIVE PHARMA INGREDIENTS

2 API Suppliers, 1 JDMF, 1 Listed Suppliers

2 API Suppliers
1 JDMF
1 Listed Suppliers

INTERMEDIATES

2 Intermediates Suppliers

2 Intermediates Suppliers

Synopsis

ACTIVE PHARMA INGREDIENTS

API Suppliers

USDMF

CEP/COS

JDMF

EU WC

KDMF

NDC API

VMF

Listed Suppliers

API REF. PRICE (USD/KG)

$ 0

MARKET PLACE

API

FDF

2INTERMEDIATES

FINISHED DOSAGE FORMULATIONS

FDF Dossiers

FDA Orange Book

Europe

Canada

Australia

South Africa

Listed Dossiers

0 DRUGS IN DEVELOPMENT

DRUG PRODUCT COMPOSITIONS

REF. STANDARDS OR IMPURITIES

EDQM

USP

Others

PATENTS & EXCLUSIVITIES

US Patents

US Exclusivities

Health Canada Patents

DIGITAL CONTENT

Data Compilation #PharmaFlow

Stock Recap #PipelineProspector

Weekly News Recap #Phispers

News #PharmaBuzz

GLOBAL SALES INFORMATION

US Medicaid (USD)

Annual Reports (USD Million)

Finished Drug Prices

0RELATED EXCIPIENT COMPANIES

0EXCIPIENTS BY APPLICATIONS

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: 130773-02-3, Atolant, Neticonazole hydrochloride [jan], Neticonazole (hydrochloride), Pkf582zh6p, Ss-717

Molecular Formula

C₁₇H₂₃ClN₂OS

Molecular Weight

338.9 g/mol

InChI Key

HAHMABKERDVYCH-ZUQRMPMESA-N

FDA UNII

PKF582ZH6P

1 2D Structure

Neticonazole Hydrochloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-[(E)-2-methylsulfanyl-1-(2-pentoxyphenyl)ethenyl]imidazole;hydrochloride

2.1.2 InChI

InChI=1S/C17H22N2OS.ClH/c1-3-4-7-12-20-17-9-6-5-8-15(17)16(13-21-2)19-11-10-18-14-19;/h5-6,8-11,13-14H,3-4,7,12H2,1-2H3;1H/b16-13+;

2.1.3 InChI Key

HAHMABKERDVYCH-ZUQRMPMESA-N

2.1.4 Canonical SMILES

CCCCCOC1=CC=CC=C1C(=CSC)N2C=CN=C2.Cl

2.1.5 Isomeric SMILES

CCCCCOC1=CC=CC=C1/C(=C\SC)/N2C=CN=C2.Cl

2.2 Other Identifiers

2.2.1 UNII

PKF582ZH6P

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 1-(2-(methylthio)-1-(2-(pentyloxy)phenyl)ethenyl)-1h-imidazole

2. Neticonazole

3. Ss-717

4. Ss717

2.3.2 Depositor-Supplied Synonyms

1. 130773-02-3

2. Atolant

3. Neticonazole Hydrochloride [jan]

4. Neticonazole (hydrochloride)

5. Pkf582zh6p

6. Ss-717

7. 1-[(e)-2-methylsulfanyl-1-(2-pentoxyphenyl)ethenyl]imidazole;hydrochloride

8. 1-[2-methylsulfanyl-1-(2-pentoxyphenyl)ethenyl]imidazole Hydrochloride

9. Neticonazole Hydrochloride (jan)

10. Ss717

11. Unii-pkf582zh6p

12. Newral

13. Atolant (tn)

14. (e)-(1-(2-pentyloxyphenyl)-1-imidazolyl-2-methylthio)ethylene Hydrochloride

15. (e)-1-(2-(methylthio)-1-(2-(pentyloxy)phenyl)ethenyl)-1h-imidazole Monohydrochloride

16. Schembl36681

17. Chebi:31900

18. (e)-1-(2-(methylthio)-1-(2-(pentyloxy)phenyl)vinyl)-1h-imidazole Hydrochloride

19. Ss 717

20. Akos037515631

21. Ccg-267906

22. Neticonazole Hydrochloride [mi]

23. 1h-imidazole, 1-(2-(methylthio)-1-(2-(pentyloxy)phenyl)ethenyl)-, Monohydrochloride, (e)-

24. Bs-15159

25. Neticonazole Hydrochloride [mart.]

26. Neticonazole Hydrochloride [who-dd]

27. Hy-128365

28. Cs-0099200

29. S4878

30. D01620

31. Q27286599

32. 1-((e)-1-(2-amoxyphenyl)-2-(methylthio)vinyl)imidazole Hydrochloride

33. 1-{(e)-2-(methylsulfanyl)-1-[2-(pentyloxy)phenyl]vinyl}-1h-imidazol-3-ium Chloride

34. 1-{(e)-2-(methylsulfanyl)-1-[2-(pentyloxy)phenyl]vinyl}-1h-imidazole Hydrochloride

35. 1-{(e)-2-(methylthio)-1-[2-(pentyloxy)phenyl]vinyl}-1h-imidazol-3-ium Chloride

36. 1-{(e)-2-(methylthio)-1-[2-(pentyloxy)phenyl]vinyl}-1h-imidazole Hydrochloride

2.4 Create Date

2005-10-11

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₂₃ClN₂OS
Molecular Weight	338.9 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	8
Exact Mass	338.1219622 g/mol
Monoisotopic Mass	338.1219622 g/mol
Topological Polar Surface Area	52.4 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	322
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2