Name: Baloxavir Marboxil
Brand: TRC
SKU: TRC-B116325

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Product Overview

Product Code

TRC-B116325

CAS Number

1985606-14-1

Product Format

Neat

Molecular Formula

C27 H23 F2 N3 O7 S

Molecular Weight

571.549

Product Categories

Forensic and Toxicology Reference Materials, Pharmaceutical Toxicology Reference Materials , API Reference Standards & Research Materials, TRC

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Product Information

Analyte Name

Baloxavir Marboxil

CAS Number

1985606-14-1

Molecular Formula

C27 H23 F2 N3 O7 S

Molecular Weight

571.549

Accurate Mass

571.122

SMILES

COC(=O)OCOC1=C2N(C=CC1=O)N([C@@H]3COCCN3C2=O)[C@H]4c5ccc(F)c(F)c5CSc6ccccc46

InChI

InChI=1S/C27H23F2N3O7S/c1-36-27(35)39-14-38-25-19(33)8-9-31-24(25)26(34)30-10-11-37-12-21(30)32(31)23-15-6-7-18(28)22(29)17(15)13-40-20-5-3-2-4-16(20)23/h2-9,21,23H,10-14H2,1H3/t21-,23+/m1/s1

IUPAC

(((R)-12-((S)-7,8-difluoro-6,11-dihydrodibenzo[b,e]thiepin-11-yl)-6,8-dioxo-3,4,6,8,12,12a-hexahydro-1H-[1,4]oxazino[3,4-c]pyrido[2,1-f][1,2,4]triazin-7-yl)oxy)methyl methyl carbonate

Country of Origin

CANADA

Product Format

Neat

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