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Substance Name: o-Anisic acid, 4-aminothio-, S-4-(diethylamino)butyl ester, phosphate
ID: BZ44770000
InChIKey: FIBBOEAJIZNWFY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H26-N2-O2-S.H3-O4-P

Molecular Weight

  • 408.4531
 
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Names and Synonyms

Synonym

  • 4-Aminothio-o-anisic acid S-4-diethylaminobutyl ester phosphate

Systematic Name

  • o-Anisic acid, 4-aminothio-, S-4-(diethylamino)butyl ester, phosphate

Registry Numbers

ID Number

  • NIOSH/BZ4477000

System Generated Number

  • BZ44770000

Molecular Formulas

Molecular Formula

  • C16-H26-N2-O2-S.H3-O4-P

Molecular Formula Fragments

  • C16-H26-N2-O2-S
  • COMPONENT
  • H3-O4-P

Structure Descriptors

InChI

1S/C16H26N2O2S.H3O4P/c1-4-18(5-2)10-6-7-11-21-16(19)14-9-8-13(17)12-15(14)20-3;1-5(2,3)4/h8-9,12H,4-7,10-11,17H2,1-3H3;(H3,1,2,3,4)

InChIKey

FIBBOEAJIZNWFY-UHFFFAOYSA-N

Smiles

CCN(CC)CCCCSC(=O)c1ccc(N)cc1OC.OP(=O)(O)O