Mrv0541 03101515302D          

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  1  2  2  0  0  0  0
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  7  8  2  0  0  0  0
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M  CHG  2  28  -1  33   1
M  END
> <ID>
CHEBI:85178

> <NAME>
dasabuvir sodium hydrate

> <DEFINITION>
A hydrate that is the monohydrate form of dasabuvir sodium; used in combination with ombitasvir, paritaprevir and ritonavir (under the trade name Viekira Pak) for treatment of chronic hepatitis C virus genotype 1 infection as well as cirrhosis of the liver.

> <STAR>
3

> <SYNONYM>
Dasabuvir sodium monohydrate; ABT-333 sodium monohydrate

> <IUPAC_NAME>
sodium {6-[3-tert-butyl-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-methoxyphenyl]naphthalen-2-yl}(methanesulfonyl)azanide--water (1/1/1)

> <FORMULA>
C26H28N3NaO6S

> <MASS>
533.57200

> <MONOISOTOPIC_MASS>
533.15965

> <CHARGE>
0

> <SMILES>
O.[Na+].COc1c(cc(cc1C(C)(C)C)-n1ccc(=O)[nH]c1=O)-c1ccc2cc([N-]S(C)(=O)=O)ccc2c1

> <INCHI>
InChI=1S/C26H26N3O5S.Na.H2O/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);;1H2/q-1;+1;

> <INCHIKEY>
OGXIDVVYYFRBGF-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
1456607-55-8

> <CHEMIDPLUS>
1456607-55-8

> <KEGG_DRUG_ACCESSION>
D10581

> <WIKIPEDIA_ACCESSION>
Dasabuvir

> <PUBMED_CITATION>
24882169

$$$$