Granules India Limited has high volume world-class facilities for APIs, PFIs, & FDFs, serving customers in over 80 countries.

Virtual Booth

Contact Supplier

Jai Radhe Sales is your partner for all your sourcing needs.

ACCESS ALL DATA
Browse all information
CHEMISTRY
Discover Molecule Insights

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

0INTERMEDIATES

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: Necrostatin-1, 4311-88-0, Mth-dl-tryptophan, Necrostatin 1, Nec-1, 5-((1h-indol-3-yl)methyl)-3-methyl-2-thioxoimidazolidin-4-one

Molecular Formula

C₁₃H₁₃N₃OS

Molecular Weight

259.33 g/mol

InChI Key

TXUWMXQFNYDOEZ-UHFFFAOYSA-N

1 2D Structure

Necrostatin-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-(1H-indol-3-ylmethyl)-3-methyl-2-sulfanylideneimidazolidin-4-one

2.1.2 InChI

InChI=1S/C13H13N3OS/c1-16-12(17)11(15-13(16)18)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,11,14H,6H2,1H3,(H,15,18)

2.1.3 InChI Key

TXUWMXQFNYDOEZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN1C(=O)C(NC1=S)CC2=CNC3=CC=CC=C32

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Nec-1 Compound

2. Necrostatin-1

2.2.2 Depositor-Supplied Synonyms

1. Necrostatin-1

2. 4311-88-0

3. Mth-dl-tryptophan

4. Necrostatin 1

5. Nec-1

6. 5-((1h-indol-3-yl)methyl)-3-methyl-2-thioxoimidazolidin-4-one

7. Mth-trp

8. Methyl-thiohydantoin-tryptophan

9. 5-(1h-indol-3-ylmethyl)-3-methyl-2-sulfanylideneimidazolidin-4-one

10. Necrostatin-1 Inactive Control

11. 4-imidazolidinone, 5-(1h-indol-3-ylmethyl)-3-methyl-2-thioxo-

12. Methylthiohydantoin-dl-tryptophan;mth-dl-tryptophan

13. Iflab-bb F0911-6127

14. 5-(1h-indol-3-ylmethyl)-3-methyl-2-thioxoimidazolidin-4-one

15. Necrostatin

16. Cid2828334

17. Oprea1_645908

18. Cbdive_006695

19. Mls006011643

20. Schembl856922

21. Chembl195008

22. Gtpl9750

23. Methylthiohydantoin-dl-tryptophan

24. Bdbm36371

25. Chebi:91658

26. Dtxsid40385186

27. Hms3229h21

28. Hms3268n04

29. Hms3413g04

30. Hms3653j04

31. Hms3673k15

32. Hms3677g04

33. Bcp06760

34. Ex-a2108

35. Necrostatin-1, >=98% (hplc)

36. S8037

37. Stl452869

38. Stl511330

39. Akos001662677

40. Akos016050497

41. Akos023092523

42. Ccg-265032

43. Cs-1666

44. Ncgc00092372-01

45. Ncgc00092372-02

46. Ncgc00092372-03

47. Ncgc00092372-15

48. Ac-32084

49. As-10165

50. Hy-15760

51. Smr001375661

52. Db-051029

53. Ft-0635218

54. N1174

55. Sw219795-1

56. Ec-000.2418

57. Ab00073999-01

58. A826160

59. Brd-a36318220-001-01-3

60. Q27163481

61. Hydantoin, 5-(indol-3-ylmethyl)-3-methyl-2-thio- (7ci,8ci)

62. 5-(1h-indol-3-ylmethyl)-3-methyl-2-sulfanylidene-4-imidazolidinone

63. 4-imidazolidinone, 5-(1h-indol-3-ylmethyl)-3-methyl-2-thioxo- (9ci)

64. 5-(1h-indol-3-ylmethyl)-3-methyl-2-thioxo-4-imidazolidinone, Nec-1

65. 5-(1h-indol-3-ylmethyl)-3-methyl-2-sulfanyl-3,5-dihydro-4h-imidazol-4-one

66. 5-(1h-indol-3-ylmethyl)-3-methyl-2-thioxo-imidazolidin-4-one;necrostatin 1

2.3 Create Date

2005-05-21

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₃N₃OS
Molecular Weight	259.33 g/mol
XLogP3	1.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	259.07793322 g/mol
Monoisotopic Mass	259.07793322 g/mol
Topological Polar Surface Area	80.2 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	373
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

ABOUT THIS PAGE

Find Necrostatin-1 manufacturers, exporters & distributors on PharmaCompass

Necrostatin 1

ACCESS ALL DATA

Browse all information

CHEMISTRY

Discover Molecule Insights

ACTIVE PHARMA INGREDIENTS

API REF. PRICE (USD/KG)

$ 0

MARKET PLACE

0INTERMEDIATES

FINISHED DOSAGE FORMULATIONS

0 DRUGS IN DEVELOPMENT

DRUG PRODUCT COMPOSITIONS

REF. STANDARDS OR IMPURITIES

PATENTS & EXCLUSIVITIES

DIGITAL CONTENT

GLOBAL SALES INFORMATION

0RELATED EXCIPIENT COMPANIES

0EXCIPIENTS BY APPLICATIONS

What are you looking for?