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Substance Name: Benzoic acid, 4-amino-2-(phenethyloxy)thio-, S-3-(diethylamino)propyl ester, dihydrochloride
ID: DG30167000
InChIKey: JAOKQVZKVHQYLT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H30-N2-O2-S.2Cl-H

Molecular Weight

  • 459.4788
 
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Names and Synonyms

Synonym

  • 4-Amino-2-(phenethyloxy)thiobenzoic acid S-3-(diethylamino)propyl ester dihydrochloride

Systematic Name

  • Benzoic acid, 4-amino-2-(phenethyloxy)thio-, S-3-(diethylamino)propyl ester, dihydrochloride

Registry Numbers

ID Number

  • NIOSH/DG3016700

System Generated Number

  • DG30167000

Molecular Formulas

Molecular Formula

  • C22-H30-N2-O2-S.2Cl-H

Molecular Formula Fragments

  • C22-H30-N2-O2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H30N2O2S.2ClH/c1-3-24(4-2)14-8-16-27-22(25)20-12-11-19(23)17-21(20)26-15-13-18-9-6-5-7-10-18;;/h5-7,9-12,17H,3-4,8,13-16,23H2,1-2H3;2*1H

InChIKey

JAOKQVZKVHQYLT-UHFFFAOYSA-N

Smiles

Cl.Cl.CCN(CC)CCCSC(=O)c1ccc(N)cc1OCCc2ccccc2