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Substance Name: IA 5 methanesulfonate
RN: 52871-23-5
InChIKey: JNWDJSSCDAZXKF-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C20-H23-N3-S.C-H4-O3-S

Molecular Weight

  • 433.594
 
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Names and Synonyms

Results Name

  • IA 5 methanesulfonate

Synonyms

  • IA 5
  • IA 5 methanesulfonate

Systematic Name

  • 2H-(1)Benzothiopyrano(4,3,2-cd)indazole-2-ethanamine, N,N-diethyl-5-methyl-, monomethanesulfonate

Registry Numbers

CAS Registry Number

  • 52871-23-5

System Generated Number

  • 0052871235

Molecular Formulas

Molecular Formula

  • C20-H23-N3-S.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C20-H23-N3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C20H23N3S.CH4O3S/c1-4-22(5-2)12-13-23-16-11-10-14(3)20-18(16)19(21-23)15-8-6-7-9-17(15)24-20;1-5(2,3)4/h6-11H,4-5,12-13H2,1-3H3;1H3,(H,2,3,4)

InChIKey

JNWDJSSCDAZXKF-UHFFFAOYSA-N

Smiles

c12c3c4c(cccc4)Sc2c(C)ccc1n(CC[NH+](CC)CC)n3.S(C)(=O)(=O)[O-]