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Substance Name: Benzoic acid, p-aminothio-, S-3-diethylaminopropyl ester, hydrogen phosphate
ID: DG33300000
InChIKey: VXRIFKOCKWDQDS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H22-N2-O-S.H3-O4-P

Molecular Weight

  • 364.4005
 
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Names and Synonyms

Synonyms

  • 1-Propanethiol, 3-(diethylamino)-, p-aminobenzoate, phosphate
  • p-Aminothiobenzoic acid S-3-diethylaminopropyl ester hydrogen phosphate

Systematic Name

  • Benzoic acid, p-aminothio-, S-3-diethylaminopropyl ester, hydrogen phosphate

Registry Numbers

ID Number

  • NIOSH/DG3330000

System Generated Number

  • DG33300000

Molecular Formulas

Molecular Formula

  • C14-H22-N2-O-S.H3-O4-P

Molecular Formula Fragments

  • C14-H22-N2-O-S
  • COMPONENT
  • H3-O4-P

Structure Descriptors

InChI

1S/C14H22N2OS.H3O4P/c1-3-16(4-2)10-5-11-17-14(18)12-6-8-13(15)9-7-12;1-5(2,3)4/h6-9H,3-5,10-11,15H2,1-2H3;(H3,1,2,3,4)

InChIKey

VXRIFKOCKWDQDS-UHFFFAOYSA-N

Smiles

CCN(CC)CCCOC(=S)c1ccc(N)cc1.OP(=O)(O)O