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Substance Name: Phenol, m-(2-(N-propylphenethylamino)ethyl)-, benzoate, fumarate (1:1)
RN: 65934-60-3
InChIKey: GARLAJBISPVFCS-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H29-N-O2.C4-H4-O4

Molecular Weight

  • 503.5917
 
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Names and Synonyms

Synonyms

  • Phenethylamine, 3-benzoyloxy-N-(2-phenethyl)-N-propyl-, fumarate (1:1)
  • Phenol, 3-(2-((2-phenylethyl)propylamino)ethyl)-, benzoate (ester), (ZE)-2-butenedioate (1;1)

Systematic Name

  • Phenol, m-(2-(N-propylphenethylamino)ethyl)-, benzoate, fumarate (1:1)

Registry Numbers

CAS Registry Number

  • 65934-60-3

System Generated Number

  • 0065934603

Molecular Formulas

Molecular Formula

  • C26-H29-N-O2.C4-H4-O4

Molecular Formula Fragments

  • C26-H29-N-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C26H29NO2.C4H4O4/c1-2-18-27(19-16-22-10-5-3-6-11-22)20-17-23-12-9-15-25(21-23)29-26(28)24-13-7-4-8-14-24;5-3(6)1-2-4(7)8/h3-15,21H,2,16-20H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

GARLAJBISPVFCS-WLHGVMLRSA-N

Smiles

CCCN(CCc1ccccc1)CCc2cccc(c2)OC(=O)c3ccccc3.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 350mg/kg (350mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 13, Pg. 553, 1978.