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Substance Name: Benzoic acid, 4-amino-2-propoxythio-, S-(2-(diethylamino)ethyl) ester, hydrogen phosphate
RN: 100311-17-9
InChIKey: CXAPPZVEGXVPKZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H26-N2-O2-S.H3-O4-P

Molecular Weight

  • 408.453
 
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Names and Synonyms

Synonyms

  • 4-Amino-2-propoxythiobenzoic acid S-(2-(diethylamino)ethyl) ester hydrogen phosphate
  • WIN 3766

Systematic Name

  • Benzoic acid, 4-amino-2-propoxythio-, S-(2-(diethylamino)ethyl) ester, hydrogen phosphate

Registry Numbers

CAS Registry Number

  • 100311-17-9

System Generated Number

  • 0100311179

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/c1-4-10-20-15-12-13(17)7-8-14(15)16(19)21-11-9-18(5-2)6-3;1-5(2,3)4/h7-8,12H,4-6,9-11,17H2,1-3H3;(H3,1,2,3,4)

InChIKey

CXAPPZVEGXVPKZ-UHFFFAOYSA-N

Smiles

c1(c(cc(N)cc1)OCCC)C(=O)SCC[NH+](CC)CC.P(O)(O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 697ug/kg (0.697mg/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.