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Substance Name: Benzenesulfinic acid, 2-(((2-phenylethyl)amino)carbonyl)-, salt with 2-phenylethanamine
ID: DA91260000
InChIKey: FJQNHBXZYIBJTF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H14-N-O3-S.C8-H12-N

Molecular Weight

  • 410.5354
 
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Names and Synonyms

Synonyms

  • o-((Phenylethyl)carbamido)benzenesulfinic acid compd. with benzeneethanamide (1:1)
  • o-(Hydroxysulfinyl)benzoic acid 2-phenylethylamide 2-phenylethylammonium salt

Systematic Name

  • Benzenesulfinic acid, 2-(((2-phenylethyl)amino)carbonyl)-, salt with 2-phenylethanamine

Registry Numbers

ID Number

  • NIOSH/DA9126000

System Generated Number

  • DA91260000

Molecular Formulas

Molecular Formula

  • C15-H14-N-O3-S.C8-H12-N

Molecular Formula Fragments

  • C15-H14-N-O3-S
  • C8-H12-N
  • COMPONENT

Structure Descriptors

InChI

1S/C15H15NO3S.C8H11N/c17-15(13-8-4-5-9-14(13)20(18)19)16-11-10-12-6-2-1-3-7-12;9-7-6-8-4-2-1-3-5-8/h1-9H,10-11H2,(H,16,17)(H,18,19);1-5H,6-7,9H2

InChIKey

FJQNHBXZYIBJTF-UHFFFAOYSA-N

Smiles

[NH3+]CCc1ccccc1.[O-]S(=O)c2ccccc2C(=O)NCCc3ccccc3