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Substance Name: Tecovirimat monohydrate
RN: 1162664-19-8
UNII: SB96YO2BR8
InChIKey: QRHXYGPOQKLBJP-NPIFKJBVSA-N

Note

  • A potent and specific inhibitor of orthopoxvirus replication.

Molecular Formula

  • C19-H15-F3-N2-O3.H2-O

Molecular Weight

  • 394.3473
 
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Names and Synonyms

Name of Substance

  • Tecovirimat monohydrate

Synonyms

  • Benzamide, N-((3aR,4R,4aR,5aS,6S,6aS)-3,3a,4,4a,5,5a,6,6a-octahydro-1,3-dioxo-4,6-ethenocycloprop(F)isoindol-2(1H)-yl)-4-(trifluoromethyl)-, hydrate (1:1), rel-
  • ST-246 monohydrate
  • Tecovirimat monohydrate
  • Tecovirimat monohydrate [MI]
  • UNII-SB96YO2BR8

Registry Numbers

CAS Registry Number

  • 1162664-19-8

FDA UNII

  • SB96YO2BR8

System Generated Number

  • 1162664198

Structure Descriptors

InChI

InChI=1S/C19H15F3N2O3.H2O/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);1H2/t10-,11+,12+,13-,14-,15+;

InChIKey

QRHXYGPOQKLBJP-NPIFKJBVSA-N

Smiles

O.FC(F)(F)c1ccc(cc1)C(=O)NN2C(=O)[C@@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@@H]45)[C@@H]3C2=O