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Chemistry

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Also known as: Pegsiticase, Pegadricase [usan:inn], Unii-50xb37ekn8, Uricase-peg 20, 50xb37ekn8, 1040753-26-1

Molecular Formula

C₁₃H₂₄N₂O₆

Molecular Weight

304.34 g/mol

InChI Key

PNFORBBPPMQASU-JTQLQIEISA-N

Pegadricase is under investigation in clinical trial NCT01021241 (Safety and Efficacy Study of Intravenous Uricase-PEG 20).

1 2D Structure

Pegadricase

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-2-amino-6-[[4-(2-methoxyethoxy)-4-oxobutanoyl]amino]hexanoic acid

2.1.2 InChI

InChI=1S/C13H24N2O6/c1-20-8-9-21-12(17)6-5-11(16)15-7-3-2-4-10(14)13(18)19/h10H,2-9,14H2,1H3,(H,15,16)(H,18,19)/t10-/m0/s1

2.1.3 InChI Key

PNFORBBPPMQASU-JTQLQIEISA-N

2.1.4 Canonical SMILES

COCCOC(=O)CCC(=O)NCCCCC(C(=O)O)N

2.1.5 Isomeric SMILES

COCCOC(=O)CCC(=O)NCCCC[C@@H](C(=O)O)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Pegsiticase

2. Pegadricase [usan:inn]

3. Unii-50xb37ekn8

4. Uricase-peg 20

5. 50xb37ekn8

6. 1040753-26-1

7. Q27260829

8. (198-threonine(s>t))uricase (ec 1.7.3.3, Urate Oxidase) Pichia Jadinii (yeast) (candida Utilis) Tetramer, Carbamates With Alpha-carboxy-omega-methoxypoly(oxyethylene)

9. Oxidase, Urate (synthetic Candida Utilis), Homotetramer, Compd. With Poly(oxy-1,2-ethanediyl)

2.3 Create Date

2014-11-22

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₂₄N₂O₆
Molecular Weight	304.34 g/mol
XLogP3	-3.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	13
Exact Mass	304.16343649 g/mol
Monoisotopic Mass	304.16343649 g/mol
Topological Polar Surface Area	128 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	335
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