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Substance Name: 1-Naphthaleneethylamine, beta-(2-butenyl)-N-(2-pyrrolidinoethyl)-, bioxalate
RN: 10337-45-8
InChIKey: JGHUASSFILXUFA-WTVBWJGASA-N

Molecular Formula

  • C22-H30-N.2C2-H2-O4

Molecular Weight

  • 502.561
 
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Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 10337-45-8

System Generated Number

  • 0010337458

Molecular Formulas

Molecular Formula

  • C22-H30-N.2C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C22-H30-N
  • COMPONENT

Structure Descriptors

InChI

1S/C22H30N2.2C2H2O4/c1-2-3-8-19(17-23-16-14-20-11-7-15-24-20)22-13-6-10-18-9-4-5-12-21(18)22;2*3-1(4)2(5)6/h2-6,9-10,12-13,19-20,23-24H,7-8,11,14-17H2,1H3;2*(H,3,4)(H,5,6)/b3-2+;;

InChIKey

JGHUASSFILXUFA-WTVBWJGASA-N

Smiles

c1(c2c(ccc1)cccc2)[C@@H](C[NH2+]CC[C@@H]1CCC[NH2+]1)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 35mg/kg (35mg/kg)   Chimica Therapeutica. Vol. 3, Pg. 121, 1968.