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Chemistry

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Also known as: Foscarbidopa, 1907685-81-7, Foscarbidopa [usan], 5nt8hca4oo, (2s)-2-hydrazinyl-3-[3-hydroxy-4-(phosphonooxy)phenyl]-, (2s)-2-hydrazinyl-3-(3-hydroxy-4-(phosphonooxy)phenyl)-2-methylpropanoic acid

Molecular Formula

C₁₀H₁₅N₂O₇P

Molecular Weight

306.21 g/mol

InChI Key

PQUZXFMHVSMUNG-JTQLQIEISA-N

FDA UNII

5NT8HCA4OO

Foscarbidopa is under investigation in clinical trial NCT04379050 (Extension Study to Evaluate Safety and Tolerability of 24-hour Daily Exposure of Continuous Subcutaneous Infusion of ABBV-951 in Adult Participants With Parkinson's Disease).

1 2D Structure

Foscarbidopa

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-2-hydrazinyl-3-(3-hydroxy-4-phosphonooxyphenyl)-2-methylpropanoic acid

2.1.2 InChI

InChI=1S/C10H15N2O7P/c1-10(12-11,9(14)15)5-6-2-3-8(7(13)4-6)19-20(16,17)18/h2-4,12-13H,5,11H2,1H3,(H,14,15)(H2,16,17,18)/t10-/m0/s1

2.1.3 InChI Key

PQUZXFMHVSMUNG-JTQLQIEISA-N

2.1.4 Canonical SMILES

CC(CC1=CC(=C(C=C1)OP(=O)(O)O)O)(C(=O)O)NN

2.1.5 Isomeric SMILES

C[C@](CC1=CC(=C(C=C1)OP(=O)(O)O)O)(C(=O)O)NN

2.2 Other Identifiers

2.2.1 UNII

5NT8HCA4OO

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Foscarbidopa

2. 1907685-81-7

3. Foscarbidopa [usan]

4. 5nt8hca4oo

5. (2s)-2-hydrazinyl-3-[3-hydroxy-4-(phosphonooxy)phenyl]-

6. (2s)-2-hydrazinyl-3-(3-hydroxy-4-(phosphonooxy)phenyl)-2-methylpropanoic Acid

7. (2s)-2-hydrazinyl-3-[3-hydroxy-4-(phosphonooxy)phenyl]-2-methylpropanoic Acid

8. Abbv-951 Carbidopa

9. Unii-5nt8hca4oo

10. Foscarbidopa [inn]

11. Chembl4802240

12. Schembl17693633

13. Chebi:192511

14. Who 11007

15. Abbv-951 Component Foscarbidopa

16. Hy-109131

17. Cs-0086771

18. (2s)-2-hydrazinyl-3-(3-hydroxy-4-phosphonooxyphenyl)-2-methylpropanoic Acid

19. (alphas)-alpha-hydrazinyl-3-hydroxy-alpha-methyl-4-(phosphonooxy)benzenepropanoic Acid

20. Benzenepropanoic Acid, Alpha-hydrazinyl-3-hydroxy-alpha-methyl-4-(phosphonooxy)-, (alphas)-

21. (.alpha.s)-.alpha.-hydrazinyl-3-hydroxy-.alpha.-methyl-4-(phosphonooxy)benzenepropanoic Acid

22. Benzenepropanoic Acid, .alpha.-hydrazinyl-3-hydroxy-.alpha.-methyl-4-(phosphonooxy)-, (.alpha.s)-

2.4 Create Date

2016-08-06

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₅N₂O₇P
Molecular Weight	306.21 g/mol
XLogP3	-5.8
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	6
Exact Mass	306.06168782 g/mol
Monoisotopic Mass	306.06168782 g/mol
Topological Polar Surface Area	162 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	401
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