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Substance Name: Decamethylene-1,10-bistrachelanthanium dibromide
RN: 58576-40-2
InChIKey: TWMHRZVXNZSCPN-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C40-H74-N2-O8.2Br

Molecular Weight

  • 870.8386
 
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Names and Synonyms

Results Name

  • Decamethylene-1,10-bistrachelanthanium dibromide

Synonyms

  • Decamethylene-1,10-bistrachelanthanium dibromide
  • Trachelanthaminium, 1,10-decamethylenebis-, dibromide

Systematic Name

  • 1H-Pyrrolizinium, 4,4'-(1,10-decamethylene)bis(hexahydro-1-hydroxymethyl-, dibromide, bis(2,3-dihydroxy-2-isopropylbutyrate), (1R-(1-alpha(2S*,3R*),3a-alpha))-

Registry Numbers

CAS Registry Number

  • 58576-40-2

System Generated Number

  • 0058576402

Molecular Formulas

Molecular Formula

  • C40-H74-N2-O8.2Br

Molecular Formula Fragments

  • Br
  • C40-H74-N2-O8
  • COMPONENT

Structure Descriptors

InChI

1S/C40H74N2O8.2BrH/c1-29(2)39(47,31(5)43)37(45)49-27-33-19-25-41(23-15-17-35(33)41)21-13-11-9-7-8-10-12-14-22-42-24-16-18-36(42)34(20-26-42)28-50-38(46)40(48,30(3)4)32(6)44;;/h29-36,43-44,47-48H,7-28H2,1-6H3;2*1H/q+2;;/p-2

InChIKey

TWMHRZVXNZSCPN-UHFFFAOYSA-L

Smiles

CC(C)C(C(C)O)(C(=O)OCC1CC[N+]2(C1CCC2)CCCCCCCCCC[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 1820ug/kg (1.82mg/kg) AUTONOMIC NERVOUS SYSTEM: SYMPATHOMIMETIC Pharmaceutical Chemistry Journal Vol. 11, Pg. 188, 1977.