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Substance Name: Butylamine, 4-(4-piperidinophenyl)-, carbonate (3:1)
RN: 71825-25-7
InChIKey: MEEKATOSKXVZJF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H24-N2.1/3C-H2-O3

Molecular Weight

  • 759.1296
 
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Names and Synonyms

Synonym

  • 4-(4-Piperidinophenyl)butylamine carbonate (3:1)

Systematic Name

  • Butylamine, 4-(4-piperidinophenyl)-, carbonate (3:1)

Registry Numbers

CAS Registry Number

  • 71825-25-7

System Generated Number

  • 0071825257

Molecular Formulas

Molecular Formula

  • C15-H24-N2.1/3C-H2-O3

Molecular Formula Fragments

  • C-H2-O3
  • C15-H24-N2
  • COMPONENT

Structure Descriptors

InChI

1S/3C15H24N2.CH2O3/c3*16-11-3-2-6-14-7-9-15(10-8-14)17-12-4-1-5-13-17;2-1(3)4/h3*7-10H,1-6,11-13,16H2;(H2,2,3,4)

InChIKey

MEEKATOSKXVZJF-UHFFFAOYSA-N

Smiles

c1cc(ccc1CCCCN)N2CCCCC2.c1cc(ccc1CCCCN)N2CCCCC2.c1cc(ccc1CCCCN)N2CCCCC2.C(=O)(O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 600mg/kg (600mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 1460, 1979.