Dasabuvir Sodium

Synopsis, Chemistry

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TABLET;ORAL - EQ 250MG BASE;12.5MG, 75MG, 50MG, TABLET, EXTENDED RELEASE;ORAL - EQ 200MG BASE;8.33MG;50MG;33.33MG **Federal Register determination that product was not discontinued or withdrawn for safety or effectiveness reasons**

TABLET;ORAL - EQ 250MG BASE;12.5MG, 75MG, 50MG
TABLET, EXTENDED RELEASE;ORAL - EQ 200MG BASE;8.33MG;50MG;33.33MG **Federal Register determination that product was not discontinued or withdrawn for safety or effectiveness reasons**

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Also known as: 1132940-11-4, Dasabuvir sodium anhydrous, N-(6-(3-(tert-butyl)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-2-methoxyphenyl)naphthalen-2-yl)methanesulfonamide sodium salt, Sodium (6-(3-tert-butyl-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-2-methoxyphenyl)naphthalen-2-yl)(methylsulfonyl)amide, Chebi:85179, Q27158387

Molecular Formula

C₂₆H₂₆N₃NaO₅S

Molecular Weight

515.6 g/mol

InChI Key

VZCGKKLFRJCTFM-UHFFFAOYSA-N

1 2D Structure

Dasabuvir Sodium

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

sodium;[6-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]naphthalen-2-yl]-methylsulfonylazanide

2.1.2 InChI

InChI=1S/C26H26N3O5S.Na/c1-26(2,3)22-15-20(29-11-10-23(30)27-25(29)31)14-21(24(22)34-4)18-7-6-17-13-19(28-35(5,32)33)9-8-16(17)12-18;/h6-15H,1-5H3,(H,27,30,31);/q-1;+1

2.1.3 InChI Key

VZCGKKLFRJCTFM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)(C)C1=CC(=CC(=C1OC)C2=CC3=C(C=C2)C=C(C=C3)[N-]S(=O)(=O)C)N4C=CC(=O)NC4=O.[Na+]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1132940-11-4

2. Dasabuvir Sodium Anhydrous

3. N-(6-(3-(tert-butyl)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-2-methoxyphenyl)naphthalen-2-yl)methanesulfonamide Sodium Salt

4. Sodium (6-(3-tert-butyl-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-2-methoxyphenyl)naphthalen-2-yl)(methylsulfonyl)amide

5. Chebi:85179

6. Q27158387

7. Sodium {6-[3-tert-butyl-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-2-methoxyphenyl]naphthalen-2-yl}(methanesulfonyl)azanide

8. Sodium;[6-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]naphthalen-2-yl]-methylsulfonylazanide

2.3 Create Date

2014-12-27

3 Chemical and Physical Properties

Molecular Formula	C₂₆H₂₆N₃NaO₅S
Molecular Weight	515.6 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	515.14908639 g/mol
Monoisotopic Mass	515.14908639 g/mol
Topological Polar Surface Area	102 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	944
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	2