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Substance Name: 1H-Pyrrolizinium, 4,4'-(1,9-nonamethylene)bis(hexahydro-1-hydroxymethyl-, dibromide, bis(2,3-dihydroxy-2-isopropylbutyrate), (1R-(1-alpha(2S*,3R*),7a-beta))-
RN: 62960-84-3
InChIKey: CPGWBBAZIIADDU-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C39-H72-N2-O8.2Br

Molecular Weight

  • 856.8118
 
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Names and Synonyms

  • 1H-Pyrrolizinium, 4,4'-(1,9-nonamethylene)bis(hexahydro-1-hydroxymethyl-, dibromide, bis(2,3-dihydroxy-2-isopropylbutyrate), (1R-(1-alpha(2S*,3R*),7a-beta))-

Registry Numbers

CAS Registry Number

  • 62960-84-3

System Generated Number

  • 0062960843

Molecular Formulas

Molecular Formula

  • C39-H72-N2-O8.2Br

Molecular Formula Fragments

  • Br
  • C39-H72-N2-O8
  • COMPONENT

Structure Descriptors

InChI

1S/C39H72N2O8.2BrH/c1-28(2)38(46,30(5)42)36(44)48-26-32-18-24-40(22-14-16-34(32)40)20-12-10-8-7-9-11-13-21-41-23-15-17-35(41)33(19-25-41)27-49-37(45)39(47,29(3)4)31(6)43;;/h28-35,42-43,46-47H,7-27H2,1-6H3;2*1H/q+2;;/p-2

InChIKey

CPGWBBAZIIADDU-UHFFFAOYSA-L

Smiles

CC(C)C(C(C)O)(C(=O)OCC1CC[N+]2(C1CCC2)CCCCCCCCC[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 1850ug/kg (1.85mg/kg) AUTONOMIC NERVOUS SYSTEM: SYMPATHOMIMETIC Pharmaceutical Chemistry Journal Vol. 11, Pg. 188, 1977.