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Substance Name: o-Anisic acid, 4-aminothio-, S-(3-(diethylamino)propyl) ester, hydrogen phosphate
RN: 102583-87-9
InChIKey: NLERLAPJLNVPFI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H24-N2-O2-S.H3-O4-P

Molecular Weight

  • 394.4263
 
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Names and Synonyms

Synonym

  • 4-Aminothio-o-anisic acid S-(3-(diethylamino)propyl) ester hydrogen phosphate

Systematic Name

  • o-Anisic acid, 4-aminothio-, S-(3-(diethylamino)propyl) ester, hydrogen phosphate

Registry Numbers

CAS Registry Number

  • 102583-87-9

System Generated Number

  • 0102583879

Molecular Formulas

Molecular Formula

  • C15-H24-N2-O2-S.H3-O4-P

Molecular Formula Fragments

  • C15-H24-N2-O2-S
  • COMPONENT
  • H3-O4-P

Structure Descriptors

InChI

1S/C15H24N2O2S.H3O4P/c1-4-17(5-2)9-6-10-20-15(18)13-8-7-12(16)11-14(13)19-3;1-5(2,3)4/h7-8,11H,4-6,9-10,16H2,1-3H3;(H3,1,2,3,4)

InChIKey

NLERLAPJLNVPFI-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 4790ug/kg (4.79mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION
Journal of Pharmacology and Experimental Therapeutics. Vol. 123, Pg. 269, 1958.