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Substance Name: 1H-Pyrrolizinium, 4,4'-(1,10-decamethylene)bis(hexahydro-1-hydroxymethyl-, dibromide, diacetate, (1R-cis)-
RN: 62960-83-2
InChIKey: CYALGGXROVKVAK-IQVYCLQASA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H54-N2-O4.2Br

Molecular Weight

  • 666.5746
 
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Names and Synonyms

Synonym

  • Trachelanthamidinium, 4,4'-decamethylenebis-, dibromide, diacetate

Systematic Name

  • 1H-Pyrrolizinium, 4,4'-(1,10-decamethylene)bis(hexahydro-1-hydroxymethyl-, dibromide, diacetate, (1R-cis)-

Registry Numbers

CAS Registry Number

  • 62960-83-2

System Generated Number

  • 0062960832

Molecular Formulas

Molecular Formula

  • C30-H54-N2-O4.2Br

Molecular Formula Fragments

  • Br
  • C30-H54-N2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C30H54N2O4.2BrH/c1-25(33)35-23-27-15-21-31(19-11-13-29(27)31)17-9-7-5-3-4-6-8-10-18-32-20-12-14-30(32)28(16-22-32)24-36-26(2)34;;/h27-30H,3-24H2,1-2H3;2*1H/q+2;;/p-2/t27-,28-,29-,30-,31?,32?;;/m0../s1

InChIKey

CYALGGXROVKVAK-IQVYCLQASA-L

Smiles

CC(=O)OC[C@@H]1CC[N+]2([C@H]1CCC2)CCCCCCCCCC[N+]34CCC[C@H]3[C@@H](CC4)COC(=O)C.[Br-].[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 6750ug/kg (6.75mg/kg) AUTONOMIC NERVOUS SYSTEM: SYMPATHOMIMETIC Pharmaceutical Chemistry Journal Vol. 11, Pg. 188, 1977.