1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

disodium;[[2-[5-[(3-cyano-4-fluorophenyl)carbamoyl]-1,2,4-trimethylpyrrol-3-yl]-2-oxoacetyl]-(3-ethynyloxetan-3-yl)amino]methyl phosphate

2.1.2 InChI

InChI=1S/C23H22FN4O8P.2Na/c1-5-23(10-35-11-23)28(12-36-37(32,33)34)22(31)20(29)18-13(2)19(27(4)14(18)3)21(30)26-16-6-7-17(24)15(8-16)9-25;;/h1,6-8H,10-12H2,2-4H3,(H,26,30)(H2,32,33,34);;/q;2*+1/p-2

2.1.3 InChI Key

AZODBEIBQSHYDI-UHFFFAOYSA-L

2.2 Other Identifiers

2.2.1 UNII

QUF596Z92T

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 2495324-72-4

2. Orb2945464

3. Quf596z92t

4. Schembl29453418

5. Pevifoscorvir Sodium [usan]

6. Alg000184

7. T204624

8. 1h-pyrrole-3-acetamide, 5-[[(3-cyano-4-fluorophenyl)amino]carbonyl]-n-(3-ethynyl-3-oxetanyl)-1,2,4-trimethyl-alpha-oxo-n-[(phosphonooxy)methyl]-, Sodium Salt (1:2)

9. Disodium [[2-[5-[(3-cyano-4-fluorophenyl)carbamoyl]-1,2,4-trimethylpyrrol-3-yl]-2-oxoacetyl]-(3-ethynyloxetan-3-yl)amino]methyl Phosphate

10. Disodium;[[2-[5-[(3-cyano-4-fluorophenyl)carbamoyl]-1,2,4-trimethylpyrrol-3-yl]-2-oxoacetyl]-(3-ethynyloxetan-3-yl)amino]methyl Phosphate

2.4 Create Date

2021-02-21

3 Chemical and Physical Properties

Molecular Formula	C₂₃H₂₀FN₄Na₂O₈P
Molecular Weight	576.4 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	8
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	177
Heavy Atom Count	39
Formal Charge	0
Complexity	1060
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	3

Pevifoscorvir Sodium

Pevifoscorvir Sodium

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