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Chemical structure of Tecovirimat monohydrate

GC75356

Tecovirimat monohydrate

Also known as N-[(1R,2R,6S,7S,8S,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-4-(trifluoromethyl)benzamide;hydrate

Tecovirimat (ST-246) monohydrate is the monohydrate form of Tecovirimat

ChemicalCAS1162664-19-8MW394.34FormulaC19H17F3N2O4
CAS number
1162664-19-8
Molecular weight
394.34
Formula
C19H17F3N2O4
InChIKey
QRHXYGPOQKLBJP-NPIFKJBVSA-N
Catalogue number
GC75356
Brand
GLPBIO
Computed properties PubChem CID 90479083 · TPSA 67.5 Ų · H-bond donors 2 · H-bond acceptors 7
TPSA
67.5 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
1
Heavy atoms
28

SMILES C1[C@@H]2[C@H]1[C@@H]3C=C[C@H]2[C@@H]4[C@H]3C(=O)N(C4=O)NC(=O)C5=CC=C(C=C5)C(F)(F)F.O

Computed descriptors from PubChem (CID 90479083), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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