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Substance Name: Pyrocatechol, 4-(2-(N-allylphenethylamino)ethyl)-, fumarate (1:1)
RN: 70045-08-8
InChIKey: YRNDOMLVAJHMLG-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H23-N-O2.C4-H4-O4

Molecular Weight

  • 413.4673
 
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Names and Synonyms

Synonym

  • Phenethylamine, 3,4-dihydroxy-N-allyl-N-phenethyl-, fumarate (1:1)

Systematic Name

  • Pyrocatechol, 4-(2-(N-allylphenethylamino)ethyl)-, fumarate (1:1)

Registry Numbers

CAS Registry Number

  • 70045-08-8

System Generated Number

  • 0070045088

Molecular Formulas

Molecular Formula

  • C19-H23-N-O2.C4-H4-O4

Molecular Formula Fragments

  • C19-H23-N-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C19H23NO2.C4H4O4/c1-2-12-20(13-10-16-6-4-3-5-7-16)14-11-17-8-9-18(21)19(22)15-17;5-3(6)1-2-4(7)8/h2-9,15,21-22H,1,10-14H2;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

YRNDOMLVAJHMLG-WLHGVMLRSA-N

Smiles

C=CCN(CCc1ccccc1)CCc2ccc(c(c2)O)O.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 13, Pg. 553, 1978.