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Chemistry

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Also known as: Foslevodopa, Dopa 4-phosphate, 3-hydroxy-o-phosphono-l-tyrosine, 97321-87-4, Foslevodopa [usan], 101141-95-1

Molecular Formula

C₉H₁₂NO₇P

Molecular Weight

277.17 g/mol

InChI Key

YNDMEEULGSTYJT-LURJTMIESA-N

FDA UNII

37NQZ0J76I

Foslevodopa is under investigation in clinical trial NCT04750226 (Study to Assess Adverse Events and Change in Disease Activity of 24-hour Continuous Subcutaneous Infusion of ABBV-951 in Adult Participants With Advanced Parkinson's Disease).

1 2D Structure

Foslevodopa

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-2-amino-3-(3-hydroxy-4-phosphonooxyphenyl)propanoic acid

2.1.2 InChI

InChI=1S/C9H12NO7P/c10-6(9(12)13)3-5-1-2-8(7(11)4-5)17-18(14,15)16/h1-2,4,6,11H,3,10H2,(H,12,13)(H2,14,15,16)/t6-/m0/s1

2.1.3 InChI Key

YNDMEEULGSTYJT-LURJTMIESA-N

2.1.4 Canonical SMILES

C1=CC(=C(C=C1CC(C(=O)O)N)O)OP(=O)(O)O

2.1.5 Isomeric SMILES

C1=CC(=C(C=C1C[C@@H](C(=O)O)N)O)OP(=O)(O)O

2.2 Other Identifiers

2.2.1 UNII

37NQZ0J76I

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Dopa 4-phosphate

2. Dopa 4-phosphate, (32)p-(l-tyr)-isomer

3. Dopa 4-phosphate, (l-tyr)-isomer

2.3.2 Depositor-Supplied Synonyms

1. Foslevodopa

2. Dopa 4-phosphate

3. 3-hydroxy-o-phosphono-l-tyrosine

4. 97321-87-4

5. Foslevodopa [usan]

6. 101141-95-1

7. 37nqz0j76i

8. Abbv-951

9. (2s)-2-amino-3-(3-hydroxy-4-phosphonooxyphenyl)propanoic Acid

10. Abbv-951 Component Foslevodopa

11. Foslevodopa [inn]

12. Foslevodopa [jan]

13. Unii-37nqz0j76i

14. 3-hydroxy-o-phosphonotyrosine

15. Foslevodopa (jan/usan/inn)

16. Chembl4594379

17. Schembl17685899

18. Dtxsid70905957

19. Chebi:192509

20. Who 11006

21. Hy-109132

22. L-tyrosine, 3-hydroxy-o-phosphono-

23. Cs-0086774

24. D11839

25. L-tyrosine, 3-hydroxy-, 4-(dihydrogen Phosphate)

26. (s)-2-amino-3-(3-hydroxy-4-(phosphonooxy)phenyl)propanoic Acid

27. (2s)-2-amino-3-[3-hydroxy-4-(phosphonooxy)phenyl]propanoic Acid

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₂NO₇P
Molecular Weight	277.17 g/mol
XLogP3	-4
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Exact Mass	277.03513872 g/mol
Monoisotopic Mass	277.03513872 g/mol
Topological Polar Surface Area	150 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	344
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