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Substance Name: RDEA-806 free acid
RN: 878670-61-2
UNII: 363Z97G83I
InChIKey: MPNGLQDRSJNLPL-UHFFFAOYSA-N

Molecular Formula

  • C24-H18-Br-Cl-N4-O3-S

Molecular Weight

  • 557.8467
 
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Names and Synonyms

Name of Substance

  • RDEA-806 free acid

Synonyms

  • 4-(2-(5-Bromo-4-(L-cyclopropylnaphthalen-4-yl)-4H-1,2,4-triazol-3-ylthio) acetamido-3-chlorobenzoic acid
  • Benzoic acid, 4-((((5-bromo-4-(4-cyclopropyl-1-naphthalenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)amino)-3-chloro-
  • Benzoic acid, 4-((2-((5-bromo-4-(4-cyclopropyl-1-naphthalenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)amino)-3-chloro-
  • UNII-363Z97G83I

Registry Numbers

CAS Registry Number

  • 878670-61-2

FDA UNII

  • 363Z97G83I

System Generated Number

  • 0878670612

Structure Descriptors

InChI

1S/C24H18BrClN4O3S/c25-23-28-29-24(34-12-21(31)27-19-9-7-14(22(32)33)11-18(19)26)30(23)20-10-8-15(13-5-6-13)16-3-1-2-4-17(16)20/h1-4,7-11,13H,5-6,12H2,(H,27,31)(H,32,33)

InChIKey

MPNGLQDRSJNLPL-UHFFFAOYSA-N

Smiles

OC(=O)c1ccc(NC(=O)CSc2nnc(Br)n2c3ccc(C4CC4)c5ccccc35)c(Cl)c1