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Chemistry

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Also known as: Vtx-002, 2097854-81-2, Vtx002, Opl-002, K02shw3kv9, Refchem:1099390
Molecular Formula
C21H13Cl3F3N5O3
Molecular Weight
546.7  g/mol
InChI Key
HNRWGYDMTRPLCQ-SNVBAGLBSA-N
FDA UNII
K02SHW3KV9

Tamuzimod
1 2D Structure

Tamuzimod

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(5R)-5-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]piperidin-2-one
2.1.2 InChI
InChI=1S/C21H13Cl3F3N5O3/c22-12-5-16(34-10-1-2-17(33)28-6-10)13(23)4-11(12)18-30-20(35-31-18)15-8-32-7-9(21(25,26)27)3-14(24)19(32)29-15/h3-5,7-8,10H,1-2,6H2,(H,28,33)/t10-/m1/s1
2.1.3 InChI Key
HNRWGYDMTRPLCQ-SNVBAGLBSA-N
2.2 Other Identifiers
2.2.1 UNII
K02SHW3KV9
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Vtx-002

2. 2097854-81-2

3. Vtx002

4. Opl-002

5. K02shw3kv9

6. Refchem:1099390

7. (5r)-5-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]piperidin-2-one

8. Tamuzimod [inn]

9. Tamuzimod (usan/inn)

10. Tamuzimod [usan]

11. Orb1982659

12. Chembl5314488

13. Schembl18869627

14. Schembl30275258

15. Hnrwgydmtrplcq-snvbaglbsa-n

16. Glxc-27924

17. Da-78185

18. Hy-148801

19. Cs-0641186

20. D12897

21. (5r)-5-(2,5-dichloro-4-{5-[8-chloro-6- (trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4- Oxadiazol-3-yl}phenoxy)piperidin-2-one

22. 2-piperidinone, 5-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-

2.4 Create Date
2017-08-04
3 Chemical and Physical Properties
Molecular Weight 546.7 g/mol
Molecular Formula C21H13Cl3F3N5O3
XLogP35.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area94.6
Heavy Atom Count35
Formal Charge0
Complexity786
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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