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Tecovirimat-[d4]

General Information
Catalog: BLP-015321
Molecular Formula: C19H11D4F3N2O3
Molecular Weight: 380.35
Chemical Structure
Tecovirimat-[d4]
Description An isotope labelled analog of Tecovirimat. Tecovirimat is an antiviral medication indicated for treatment of human smallpox disease caused by variola virus. Tecovirimat is an inhibitor of the orthopoxvirus VP37 envelope wrapping protein that blocks the interaction of P37 with Rab9 and TIP47, preventing the formation of the wrapping complex.
Synonyms Tecovirimat-d4; N-((3aR,4R,4aR,5aS,6S,6aS)-1,3-Dioxo-3,3a,4,4a,5,5a,6,6a-octahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)-4-(trifluoromethyl)benzamide-2,3,5,6-d4
IUPAC Name 2,3,5,6-tetradeuterio-N-[(1S,2S,6R,7R,8R,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-4-(trifluoromethyl)benzamide
Related CAS 869572-92-9 (unlabelled)
Canonical SMILES [2H]C1=C(C(=C(C(=C1C(=O)NN2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]3C2=O)[C@@H]5[C@H]4C5)[2H])[2H])C(F)(F)F)[2H]
InChI InChI=1S/C19H15F3N2O3/c20-19(21,22)9-3-1-8(2-4-9)16(25)23-24-17(26)14-10-5-6-11(13-7-12(10)13)15(14)18(24)27/h1-6,10-15H,7H2,(H,23,25)/t10-,11+,12+,13-,14-,15+/i1D,2D,3D,4D
InChI Key CSKDFZIMJXRJGH-YPSXERSKSA-N
Appearance White to Off-White Solid

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