Account Deldeprevir Na
- Catalog No. :
- ACPFJF057
- CAS No. :
- 1298053-61-8
- Molecular Formula :
- C45H55F2N6NaO8S2
- Molecular Weight :
- 933.09
IUPAC Name:sodium (cyclopropylsulfonyl)((2R,6R,13aS,14aR,16aS,Z)-6-(2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl)-2-((2-(4-isopropylthiazol-2-yl)-7-methoxy-8-methylquinolin-4-yl)oxy)-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a-carbonyl)amide
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Product Information
| Product Name | Deldeprevir Na |
|---|---|
| IUPAC Name | sodium (cyclopropylsulfonyl)((2R,6R,13aS,14aR,16aS,Z)-6-(2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl)-2-((2-(4-isopropylthiazol-2-yl)-7-methoxy-8-methylquinolin-4-yl)oxy)-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a-carbonyl)amide |
| Molecular Formula | C45H55F2N6NaO8S2 |
| Molecular Weight | 933.09 |
| SMILES | O=C([N-]S(=O)(C1CC1)=O)[C@]([C@]2([H])/C=C\CCCCC[C@@H]3CC(N4CC(F)(F)CCC4)=O)(C2)NC([C@@](C[C@@H](OC5=CC(C6=NC(C(C)C)=CS6)=NC7=C(C)C(OC)=CC=C57)C8)([H])N8C3=O)=O.[Na+] |
| InChI Key | KLBYIWFUEHNOSA-ACPQSSBHSA-M |
| Synonym | Deldeprevir sodium;Deldeprevir Na |
| CAS No. | 1298053-61-8 |
Synthetic Route by SureRoute
2. ACPFJF057 Molecular Building Block Synthetic Route
(2R,3aR,11aS,12aR,14aR,Z)-N-(Cyclopropylsulfonyl)-2-((2-(4-isopropylthiazol-2-yl)-7-methoxy-8-methylquinolin-4-yl)oxy)-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide
Simeprevir Sodium
(2R,3aR,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-2-((2-(4-isopropylthiazol-2-yl)-7-methoxy-8-methylquinolin-4-yl)oxy)-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide