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Substance Name: Apratastat [USAN:INN]
RN: 287405-51-0
UNII: C6BZ5263BJ
InChIKey: MAVDNGWEBZTACC-HNNXBMFYSA-N

Classification Code

  • Treatment of Rheumatoid Arthritis

Molecular Formula

  • C17-H22-N2-O6-S2

Molecular Weight

  • 414.5008
 
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Names and Synonyms

Name of Substance

  • Apratastat
  • Apratastat [USAN:INN]

Synonyms

  • (3S)-N-Hydroxy-4-((4-((4-hydroxybut-2-ynyl)oxy)phenyl)sulfonyl)-2,2-dimethylthiomorpholine-3-carboxamide
  • Apratastat
  • TMI 005
  • TMI-005
  • UNII-C6BZ5263BJ

Registry Numbers

CAS Registry Number

  • 287405-51-0

FDA UNII

  • C6BZ5263BJ

System Generated Number

  • 0287405510

Structure Descriptors

InChI

1S/C17H22N2O6S2/c1-17(2)15(16(21)18-22)19(9-12-26-17)27(23,24)14-7-5-13(6-8-14)25-11-4-3-10-20/h5-8,15,20,22H,9-12H2,1-2H3,(H,18,21)/t15-/m0/s1

InChIKey

MAVDNGWEBZTACC-HNNXBMFYSA-N

Smiles

CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c2ccc(OCC#CCO)cc2