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Substance Name: o-Anisic acid, 4-aminothio-, S-3-piperidinopropyl ester, phosphate
ID: BZ44900000
InChIKey: KFFKQZGFBHUVFA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H24-N2-O2-S.H3-O4-P

Molecular Weight

  • 406.4373
 
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Names and Synonyms

Synonym

  • 4-Aminothio-o-anisic acid S-3-piperidinopropyl ester phosphate

Systematic Name

  • o-Anisic acid, 4-aminothio-, S-3-piperidinopropyl ester, phosphate

Registry Numbers

ID Number

  • NIOSH/BZ4490000

System Generated Number

  • BZ44900000

Molecular Formulas

Molecular Formula

  • C16-H24-N2-O2-S.H3-O4-P

Molecular Formula Fragments

  • C16-H24-N2-O2-S
  • COMPONENT
  • H3-O4-P

Structure Descriptors

InChI

1S/C16H24N2O2S.H3O4P/c1-20-15-12-13(17)6-7-14(15)16(19)21-11-5-10-18-8-3-2-4-9-18;1-5(2,3)4/h6-7,12H,2-5,8-11,17H2,1H3;(H3,1,2,3,4)

InChIKey

KFFKQZGFBHUVFA-UHFFFAOYSA-N

Smiles

COc1cc(N)ccc1C(=O)SCCCN2CCCCC2.OP(=O)(O)O