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Substance Name: CI 986
RN: 130116-16-4
InChIKey: BIZSVVIRPJXFOI-UHFFFAOYSA-M

Note

  • A nonulcerogenic anti-inflammatory agent.

Molecular Formula

  • C16-H21-N2-O-S2.C5-H14-N-O

Molecular Weight

  • 425.659
 
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Names and Synonyms

Name of Substance

  • CI 986

Synonyms

  • 5-(3,5-Bis(1,1-dimethylethyl)-4-(hydroxyphenyl))-1,3,4-thiadiazole-2(3H)-thione choline salt
  • 5-(3,5-Di-tert-butyl-4-hydroxyphenyl)-1,3,4-thiadiazole-2(3H)-thione
  • CI-986

Systematic Name

  • Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, salt with 5-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)-1,3,4-thiadiazole-2(3H)-thione (1:1)

Registry Numbers

CAS Registry Number

  • 130116-16-4

System Generated Number

  • 0130116164

Molecular Formulas

Molecular Formula

  • C16-H21-N2-O-S2.C5-H14-N-O

Molecular Formula Fragments

  • C16-H21-N2-O-S2
  • C5-H14-N-O
  • COMPONENT

Structure Descriptors

InChI

1S/C16H22N2OS2.C5H14NO/c1-15(2,3)10-7-9(13-17-18-14(20)21-13)8-11(12(10)19)16(4,5)6;1-6(2,3)4-5-7/h7-8,19H,1-6H3,(H,18,20);7H,4-5H2,1-3H3/q;+1/p-1

InChIKey

BIZSVVIRPJXFOI-UHFFFAOYSA-M

Smiles

s1c([nH]nc1c1cc(C(C)(C)C)c([O-])c(C(C)(C)C)c1)=S.[N+](CCO)(C)(C)C