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Substance Name: Octamethylene-1,8-bisviridiflorinium dibromide
RN: 62989-84-8
InChIKey: XNTXGOMQWBGYOE-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C38-H70-N2-O8.2Br

Molecular Weight

  • 842.785
 
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Names and Synonyms

Results Name

  • Octamethylene-1,8-bisviridiflorinium dibromide

Synonym

  • Octamethylene-1,8-bisviridiflorinium dibromide

Systematic Names

  • 1H-Pyrrolizinium, 4,4'-(1,8-octamethylene)bis(hexahydro-1-hydroxymethyl-, dibromide, bis(2,3-dihydroxy-2-isopropylbutyrate), (1R-(1-alpha(2S*,3S*),7a-alpha))-
  • 1H-Pyrrolizinium, 4,4'-(1,8-octanediyl)bis(1-((2,3-dihydroxy-2-(1-methylethyl)-1-oxobutoxy)methyl)hexahydro-, dibromide, stereoisomer

Registry Numbers

CAS Registry Number

  • 62989-84-8

System Generated Number

  • 0062989848

Molecular Formulas

Molecular Formula

  • C38-H70-N2-O8.2Br

Molecular Formula Fragments

  • Br
  • C38-H70-N2-O8
  • COMPONENT

Structure Descriptors

InChI

1S/C38H70N2O8.2BrH/c1-27(2)37(45,29(5)41)35(43)47-25-31-17-23-39(21-13-15-33(31)39)19-11-9-7-8-10-12-20-40-22-14-16-34(40)32(18-24-40)26-48-36(44)38(46,28(3)4)30(6)42;;/h27-34,41-42,45-46H,7-26H2,1-6H3;2*1H/q+2;;/p-2

InChIKey

XNTXGOMQWBGYOE-UHFFFAOYSA-L

Smiles

CC(C)C(C(C)O)(C(=O)OCC1CC[N+]2(C1CCC2)CCCCCCCC[N+]34CCCC3C(CC4)COC(=O)C(C(C)C)(C(C)O)O)O.[Br-].[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 4150ug/kg (4.15mg/kg) AUTONOMIC NERVOUS SYSTEM: SYMPATHOMIMETIC Pharmaceutical Chemistry Journal Vol. 11, Pg. 188, 1977.