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Substance Name: Tonabersat [INN:BAN]
RN: 175013-84-0
UNII: 2XD9773ZMN
InChIKey: XLIIRNOPGJTBJD-ROUUACIJSA-N

Note

  • Potential antimigraine agent.

Molecular Weight

  • 391.8241
 
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Names and Synonyms

Name of Substance

  • Tonabersat
  • Tonabersat [INN:BAN]

Synonyms

  • 6-acetyl-4-(3-chloro-4-fluorobenzoylamino)-3,4-dihydro-2,2-dimethyl-2H-benzo(b)pyran-3-ol
  • N-((3S,4S)-6-Acetyl-3-hydroxy-2,2-dimethylchroman-4-yl)-3-chloro-4-fluorobenzamide
  • SB 220453
  • SB-220453
  • Tonabersat
  • UNII-2XD9773ZMN

Systematic Name

  • 2H-Benzo(b)pyran-3-ol, 6-acetyl-4-(3-chloro-4-fluorobenzoylamino)-3,4-dihydro-2,2-dimethyl-

Registry Numbers

CAS Registry Number

  • 175013-84-0

FDA UNII

  • 2XD9773ZMN

System Generated Number

  • 0175013840

Structure Descriptors

InChI

InChI=1S/C20H19ClFNO4/c1-10(24)11-5-7-16-13(8-11)17(18(25)20(2,3)27-16)23-19(26)12-4-6-15(22)14(21)9-12/h4-9,17-18,25H,1-3H3,(H,23,26)/t17-,18-/m0/s1

InChIKey

XLIIRNOPGJTBJD-ROUUACIJSA-N

Smiles

CC(=O)c1ccc2OC(C)(C)[C@@H](O)[C@@H](NC(=O)c3ccc(F)c(Cl)c3)c2c1