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Substance Name: Pyrocatechol, 4-(2-(N-propylphenethylamino)ethyl)-, diacetate, fumarate (2:1)
RN: 70044-95-0
InChIKey: ODVMPQKUXQDESO-WXXKFALUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C46-H58-N2-O8.C4-H4-O4

Molecular Weight

  • 883.0418
 
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Names and Synonyms

Synonym

  • Phenethylamine, 3,4-diacetoxy-N-(2-phenethyl)-N-propyl-, fumarate (2:1)

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 70044-95-0

System Generated Number

  • 0070044950

Molecular Formulas

Molecular Formula

  • C46-H58-N2-O8.C4-H4-O4

Molecular Formula Fragments

  • C4-H4-O4
  • C46-H58-N2-O8
  • COMPONENT

Structure Descriptors

InChI

1S/2C23H29NO4.C4H4O4/c2*1-4-14-24(15-12-20-8-6-5-7-9-20)16-13-21-10-11-22(27-18(2)25)23(17-21)28-19(3)26;5-3(6)1-2-4(7)8/h2*5-11,17H,4,12-16H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+

InChIKey

ODVMPQKUXQDESO-WXXKFALUSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 13, Pg. 553, 1978.