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Substance Name: Bicyclo(2.2.2)octane, 1,4-bis(1,2,3,4-tetrahydroisoquinolylmethyl)-
RN: 63990-94-3
InChIKey: DDOXROFFXDWGCO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H36-N2

Molecular Weight

  • 400.606
 
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Names and Synonyms

Synonym

  • 1,4-Bis(1,2,3,4-tetrahydroisoquinolylmethyl)-1,4-bicyclo(2.2.2)octane

Systematic Name

  • Bicyclo(2.2.2)octane, 1,4-bis(1,2,3,4-tetrahydroisoquinolylmethyl)-

Registry Numbers

CAS Registry Number

  • 63990-94-3

System Generated Number

  • 0063990943

Structure Descriptors

InChI

1S/C28H36N2/c1-3-7-23-21(5-1)9-17-29-25(23)19-27-11-14-28(15-12-27,16-13-27)20-26-24-8-4-2-6-22(24)10-18-30-26/h1-8,25-26,29-30H,9-20H2

InChIKey

DDOXROFFXDWGCO-UHFFFAOYSA-N

Smiles

C12(C[C@@H]3c4c(CCN3)cccc4)CCC(C[C@@H]3c4c(CCN3)cccc4)(CC1)CC2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 63mg/kg (63mg/kg)   Journal of Medicinal Chemistry. Vol. 9, Pg. 329, 1966.