Rabeximod

Synopsis, Chemistry

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Also known as: Rob 803, 872178-65-9, Rabeximod [inn], Rob-803, J4d3k58w3z, Rabeximodum

Molecular Formula

C₂₂H₂₄ClN₅O

Molecular Weight

409.9 g/mol

InChI Key

PDNNUMNEXITLCZ-UHFFFAOYSA-N

FDA UNII

J4D3K58W3Z

Rabeximod is an orally administered compound for treatment of moderate or severe active rheumatoid arthritis that is currently undergoing phase II clinical testing in eight European countries.

1 2D Structure

Rabeximod

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(9-chloro-2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)-N-[2-(dimethylamino)ethyl]acetamide

2.1.2 InChI

InChI=1S/C22H24ClN5O/c1-13-9-17-18(10-14(13)2)26-22-21(25-17)16-11-15(23)5-6-19(16)28(22)12-20(29)24-7-8-27(3)4/h5-6,9-11H,7-8,12H2,1-4H3,(H,24,29)

2.1.3 InChI Key

PDNNUMNEXITLCZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC2=C(C=C1C)N=C3C(=N2)C4=C(N3CC(=O)NCCN(C)C)C=CC(=C4)Cl

2.2 Other Identifiers

2.2.1 UNII

J4D3K58W3Z

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Rob 803

2. 872178-65-9

3. Rabeximod [inn]

4. Rob-803

5. J4d3k58w3z

6. Rabeximodum

7. Rabeximodum [inn]

8. Unii-j4d3k58w3z

9. Rob803

10. Gtpl9856

11. Schembl16053849

12. Dtxsid701007428

13. Db05772

14. Sb18674

15. Q27281185

16. 2-(9-chloro-2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)-n-[2-(dimethylamino)ethyl]acetamide

17. 2-(9-chloro-2,3-dimethyl-6h-indolo[2,3-b]quinoxalin-6-yl)-n-[2-(dimethylamino)ethyl]ethanimidic Acid

18. 6h-indolo(2,3-b)quinoxaline-6-acetamide, 9-chloro-n-(2-(dimethylamino)ethyl)-2,3-dimethyl-

2.4 Create Date

2012-03-21

3 Chemical and Physical Properties

Molecular Formula	C₂₂H₂₄ClN₅O
Molecular Weight	409.9 g/mol
XLogP3	3.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	409.1669381 g/mol
Monoisotopic Mass	409.1669381 g/mol
Topological Polar Surface Area	63 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	590
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1