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Substance Name: Quinoline, 4-(3-(3-ethyl-4-piperidinyl)propyl)-6-methoxy-, (3S-trans)-, (E)-2-butenedioate (1:1)
RN: 77167-87-4
InChIKey: HXZGWRQXGURYDA-GVNJZHQWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H28-N2-O.C4-H4-O4

Molecular Weight

  • 428.5258
 
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Names and Synonyms

Synonym

  • 4(R)-(3-(6-Methoxy 4-quinolyl)propyl) 3(S)-ethyl piperidine fumarate

Systematic Name

  • Quinoline, 4-(3-(3-ethyl-4-piperidinyl)propyl)-6-methoxy-, (3S-trans)-, (E)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 77167-87-4

System Generated Number

  • 0077167874

Molecular Formulas

Molecular Formula

  • C20-H28-N2-O.C4-H4-O4

Molecular Formula Fragments

  • C20-H28-N2-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C20H28N2O.C4H4O4/c1-3-15-14-21-11-9-16(15)5-4-6-17-10-12-22-20-8-7-18(23-2)13-19(17)20;5-3(6)1-2-4(7)8/h7-8,10,12-13,15-16,21H,3-6,9,11,14H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t15-,16-;/m1./s1

InChIKey

HXZGWRQXGURYDA-GVNJZHQWSA-N

Smiles

CC[C@@H]1CNCC[C@H]1CCCc2ccnc3c2cc(cc3)OC.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 200mg/kg (200mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: REGIDITY
United States Patent Document. Vol. #4237139,