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Substance Name: Benzoic acid, p-aminothio-, S-3-piperidinopropyl ester, phosphate
ID: DG33415000
InChIKey: HCYDOTDXJSVKPU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H22-N2-O-S.H3-O4-P

Molecular Weight

  • 376.4115
 
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Names and Synonyms

Synonyms

  • 1-Piperidinepropanethiol, p-aminobenzoate, phosphate
  • p-Aminothiobenzoic acid S-3-piperidinopropyl ester phosphate

Systematic Name

  • Benzoic acid, p-aminothio-, S-3-piperidinopropyl ester, phosphate

Registry Numbers

ID Number

  • NIOSH/DG3341500

System Generated Number

  • DG33415000

Molecular Formulas

Molecular Formula

  • C15-H22-N2-O-S.H3-O4-P

Molecular Formula Fragments

  • C15-H22-N2-O-S
  • COMPONENT
  • H3-O4-P

Structure Descriptors

InChI

1S/C15H22N2OS.H3O4P/c16-14-7-5-13(6-8-14)15(18)19-12-4-11-17-9-2-1-3-10-17;1-5(2,3)4/h5-8H,1-4,9-12,16H2;(H3,1,2,3,4)

InChIKey

HCYDOTDXJSVKPU-UHFFFAOYSA-N

Smiles

Nc1ccc(cc1)C(=O)SCCCN2CCCCC2.OP(=O)(O)O