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Substance Name: Roxindole methanesulfonate
RN: 119742-13-1
UNII: WCW8374DTW
InChIKey: ACXQCFGTCOWPAQ-UHFFFAOYSA-N

Molecular Formula

  • C23-H26-N2-O.C-H4-O3-S

Molecular Weight

  • 442.577
 
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Names and Synonyms

Name of Substance

  • Roxindole
  • Roxindole methanesulfonate

Synonyms

  • 5-Hydroxy-3-(4-(4-phenyl-1,2,3,6-tetrahydropyidyl)-1-butyl)-1-indole mesylate
  • Emd 49980
  • UNII-WCW8374DTW

Systematic Name

  • 1H-Indol-5-ol, 3-(4-(3,6-dihydro-4-phenyl-1(2H)-pyridinyl)butyl)-, monomethanesulfonate

Registry Numbers

CAS Registry Number

  • 119742-13-1

FDA UNII

  • WCW8374DTW

System Generated Number

  • 0119742131

Molecular Formulas

Molecular Formula

  • C23-H26-N2-O.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C23-H26-N2-O
  • COMPONENT

Structure Descriptors

InChI

1S/C23H26N2O.CH4O3S/c26-21-9-10-23-22(16-21)20(17-24-23)8-4-5-13-25-14-11-19(12-15-25)18-6-2-1-3-7-18;1-5(2,3)4/h1-3,6-7,9-11,16-17,24,26H,4-5,8,12-15H2;1H3,(H,2,3,4)

InChIKey

ACXQCFGTCOWPAQ-UHFFFAOYSA-N

Smiles

CS(=O)(=O)O.c1ccc(cc1)C2=CCN(CC2)CCCCc3c[nH]c4c3cc(cc4)O