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Substance Name: 1-Naphthaleneethylamine, beta-(2-butenyl)-N-(2-piperidinoethyl)-, bioxalate
RN: 10337-46-9
InChIKey: BGDVNEKYMWDDPK-WTVBWJGASA-N

Molecular Formula

  • C23-H32-N.2C2-H2-O4

Molecular Weight

  • 516.587
 
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Names and Synonyms

Synonyms

  • 4-Hexenylamine, 2-(1-naphthyl)-N-(2-piperidinoethyl)-, bioxalate
  • beta-(2-Butenyl)-N-(2-piperidinoethyl)-1-naphthaleneethylamine bioxalate

Systematic Name

  • 1-Naphthaleneethylamine, beta-(2-butenyl)-N-(2-piperidinoethyl)-, bioxalate

Registry Numbers

CAS Registry Number

  • 10337-46-9

System Generated Number

  • 0010337469

Molecular Formulas

Molecular Formula

  • C23-H32-N.2C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C23-H32-N
  • COMPONENT

Structure Descriptors

InChI

1S/C23H32N2.2C2H2O4/c1-2-3-10-21(19-24-15-18-25-16-7-4-8-17-25)23-14-9-12-20-11-5-6-13-22(20)23;2*3-1(4)2(5)6/h2-3,5-6,9,11-14,21,24H,4,7-8,10,15-19H2,1H3;2*(H,3,4)(H,5,6)/b3-2+;;

InChIKey

BGDVNEKYMWDDPK-WTVBWJGASA-N

Smiles

c1(c2c(ccc1)cccc2)[C@@H](C[NH2+]CC[NH+]1CCCCC1)C\C=C\C.C(C(=O)[O-])(O)=O.C(C(=O)[O-])(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 30mg/kg (30mg/kg)   Chimica Therapeutica. Vol. 3, Pg. 121, 1968.