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

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, 2 USDMF

2 API Suppliers
2 USDMF

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: Mk-2048, 869901-69-9, Mk2048, Mk 2048, Lj8u884tm5, (s)-2-(3-chloro-4-fluorobenzyl)-8-ethyl-10-hydroxy-n,6-dimethyl-1,9-dioxo-1,2,6,7,8,9-hexahydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-4-carboxamide

Molecular Formula

C₂₁H₂₁ClFN₅O₄

Molecular Weight

461.9 g/mol

InChI Key

JSRREMIKIHJGAA-JTQLQIEISA-N

FDA UNII

LJ8U884TM5

1 2D Structure

Mk2048

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(13S)-5-[(3-chloro-4-fluorophenyl)methyl]-11-ethyl-8-hydroxy-N,13-dimethyl-6,10-dioxo-1,4,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,8-triene-3-carboxamide

2.1.2 InChI

InChI=1S/C21H21ClFN5O4/c1-4-26-8-10(2)28-16-14(18(29)17(28)21(26)32)20(31)27(25-15(16)19(30)24-3)9-11-5-6-13(23)12(22)7-11/h5-7,10,29H,4,8-9H2,1-3H3,(H,24,30)/t10-/m0/s1

2.1.3 InChI Key

JSRREMIKIHJGAA-JTQLQIEISA-N

2.1.4 Canonical SMILES

CCN1CC(N2C3=C(C(=C2C1=O)O)C(=O)N(N=C3C(=O)NC)CC4=CC(=C(C=C4)F)Cl)C

2.1.5 Isomeric SMILES

CCN1C[C@@H](N2C3=C(C(=C2C1=O)O)C(=O)N(N=C3C(=O)NC)CC4=CC(=C(C=C4)F)Cl)C

2.2 Other Identifiers

2.2.1 UNII

LJ8U884TM5

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Mk-2048

2. 869901-69-9

3. Mk2048

4. Mk 2048

5. Lj8u884tm5

6. (s)-2-(3-chloro-4-fluorobenzyl)-8-ethyl-10-hydroxy-n,6-dimethyl-1,9-dioxo-1,2,6,7,8,9-hexahydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-4-carboxamide

7. Pyrazino(1',2':1,5)pyrrolo(2,3-d)pyridazine-4-carboxamide, 2-((3-chloro-4-fluorophenyl)methyl)-8-ethyl-1,2,6,7,8,9-hexahydro-10-hydroxy-n,6-dimethyl-1,9-dioxo-, (6s)-

8. Unii-lj8u884tm5

9. 3oyl

10. 3oyn

11. Zzx

12. Schembl3984882

13. Chembl1237018

14. Dtxsid70236031

15. Bcp03947

16. Ex-a2340

17. Zinc35801891

18. Bcp9000947

19. Ccg-269361

20. Cs-1034

21. Mk 2048;mk2048

22. Ncgc00346694-01

23. Ncgc00346694-02

24. Ncgc00346694-03

25. Ncgc00346694-04

26. Hy-13305

27. Bcp0726000130

28. Q3273019

29. (13s)-5-[(3-chloro-4-fluorophenyl)methyl]-11-ethyl-8-hydroxy-n,13-dimethyl-6,10-dioxo-1,4,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,8-triene-3-carboxamide

30. (6s)-2-((3-chloro-4-fluorophenyl)methyl)-8-ethyl-1,2,6,7,8,9-hexahydro-10-hydroxy-n,6-dimethyl-1,9-dioxopyrazino(1',2':1,5)pyrrolo(2,3-d)pyridazine-4-carboxamide

31. (6s)-2-[(3-chloro-4-fluoro-phenyl)methyl]-8-ethyl-10-hydroxy-n,6-dimethyl-1,9-dioxo-6,7-dihydropyrazino[[?]:[?]]pyrrolo[[?]]pyridazine-4-carboxamide

2.4 Create Date

2011-12-26

3 Chemical and Physical Properties

Molecular Formula	C₂₁H₂₁ClFN₅O₄
Molecular Weight	461.9 g/mol
XLogP3	2.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	461.1266100 g/mol
Monoisotopic Mass	461.1266100 g/mol
Topological Polar Surface Area	107 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	828
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1