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Substance Name: Heliotrinium, 4,4'-decamethylenebis-, dibromide
RN: 62913-16-0
InChIKey: GPTYTKWSKSDHMQ-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C42-H74-N2-O10.2Br

Molecular Weight

  • 926.8586
 
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Names and Synonyms

Results Name

  • Heliotrinium, 4,4'-decamethylenebis-, dibromide

Synonym

  • Heliotrinium, 4,4'-decamethylenebis-, dibromide

Systematic Name

  • 1H-Pyrrolizinium, 4,4'-(1,10-decamethylene)bis(hexahydro-1-hydroxymethyl-, dibromide, bis(2-hydroxy-1-methoxyethyl-3-methylbutyrate), (1S-(1-alpha(2R*,3S*),7a-alpha))-

Registry Numbers

CAS Registry Number

  • 62913-16-0

System Generated Number

  • 0062913160

Molecular Formulas

Molecular Formula

  • C42-H74-N2-O10.2Br

Molecular Formula Fragments

  • Br
  • C42-H74-N2-O10
  • COMPONENT

Structure Descriptors

InChI

1S/C42H74N2O10.2BrH/c1-29(2)41(49,31(5)51-7)39(47)53-27-33-17-23-43(25-19-35(45)37(33)43)21-15-13-11-9-10-12-14-16-22-44-24-18-34(38(44)36(46)20-26-44)28-54-40(48)42(50,30(3)4)32(6)52-8;;/h17-18,29-32,35-38,45-46,49-50H,9-16,19-28H2,1-8H3;2*1H/q+2;;/p-2

InChIKey

GPTYTKWSKSDHMQ-UHFFFAOYSA-L

Smiles

CC(C)C(C(C)OC)(C(=O)OCC1=CC[N+]2(C1C(CC2)O)CCCCCCCCCC[N+]34CCC(C3C(=CC4)COC(=O)C(C(C)C)(C(C)OC)O)O)O.[Br-].[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 4450ug/kg (4.45mg/kg) AUTONOMIC NERVOUS SYSTEM: SYMPATHOMIMETIC Pharmaceutical Chemistry Journal Vol. 11, Pg. 188, 1977.