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Substance Name: 1,3-Bis(3-tert-butylamino-1-propoxy)benzene dimethiodide
RN: 105029-47-8
InChIKey: NLPDTVSIJWOPFA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H36-N2-O2.2C-H3-I

Molecular Weight

  • 620.386
 
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Names and Synonyms

Name of Substance

  • 1,3-Bis(3-tert-butylamino-1-propoxy)benzene dimethiodide

Synonyms

  • 1,3-Bis(3-t-butylamino-1-propoxy)benzene dimethiodide
  • Compound 79-297
  • Propylamine, 3,3'-(m-phenylenedioxy)bis(N-tert-butyl-, dimethiodide

Systematic Name

  • 1-Propanamine, 3,3'-(1,3-phenylenebis(oxy))bis(N-(1,1-dimethylethyl)-, compd. with iodomethane (1:2)

Registry Numbers

CAS Registry Number

  • 105029-47-8

System Generated Number

  • 0105029478

Molecular Formulas

Molecular Formula

  • C20-H36-N2-O2.2C-H3-I

Molecular Formula Fragments

  • C-H3-I
  • C20-H36-N2-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C20H36N2O2.2CH3I/c1-19(2,3)21-12-8-14-23-17-10-7-11-18(16-17)24-15-9-13-22-20(4,5)6;2*1-2/h7,10-11,16,21-22H,8-9,12-15H2,1-6H3;2*1H3

InChIKey

NLPDTVSIJWOPFA-UHFFFAOYSA-N

Smiles

CI.c1(cc(ccc1)OCCCNC(C)(C)C)OCCCNC(C)(C)C.CI

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 4640ug/kg (4.64mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)
Indian Journal of Experimental Biology. Vol. 24, Pg. 435, 1986.