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Substance Name: ABT-072 potassium trihydrate
RN: 1132940-31-8
UNII: OKE397H58Z
InChIKey: LKNQKKMZUBGVOU-MPMAQEBPSA-M

Molecular Formula

  • C24-H26-N3-O5-S.K.3H2-O

Molecular Weight

  • 561.6895
 
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Names and Synonyms

Name of Substance

  • ABT-072 potassium trihydrate

Synonyms

  • ABT-072 potassium trihydrate
  • Methanesulfonamide, N-(4-((1E)-2-(5-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-3-(1,1-dimethylethyl)-2-methoxyphenyl)ethenyl)phenyl)-, potassium salt, hydrate (1:1:3)
  • UNII-OKE397H58Z

Registry Numbers

CAS Registry Number

  • 1132940-31-8

FDA UNII

  • OKE397H58Z

System Generated Number

  • 1132940318

Structure Descriptors

InChI

1S/C24H27N3O5S.K.3H2O/c1-24(2,3)20-15-19(27-13-12-21(28)25-23(27)29)14-17(22(20)32-4)9-6-16-7-10-18(11-8-16)26-33(5,30)31;;;;/h6-15,26H,1-5H3,(H,25,28,29);;3*1H2/q;+1;;;/p-1/b9-6+;;;;

InChIKey

LKNQKKMZUBGVOU-MPMAQEBPSA-M

Smiles

O.O.O.[K+].COc1c(\C=C\c2ccc(NS(=O)(=O)C)cc2)cc(cc1C(C)(C)C)N3C=CC(=O)[N-]C3=O