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Substance Name: 1H-Pyrrolizinium, 4,4'-(1,10-decamethylene)bis(hexahydro-1-hydroxymethyl-, dibromidedicrotonate, (1R-trans)-
RN: 62913-14-8
InChIKey: NWYICMPXVSOWKN-OEKLOMRBSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C34-H58-N2-O4.2Br

Molecular Weight

  • 718.6502
 
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Names and Synonyms

Synonym

  • Lendelofidinium, 4,4'-(1,10-decamethylene)bis-, dibromide dicrotonate

Systematic Name

  • 1H-Pyrrolizinium, 4,4'-(1,10-decamethylene)bis(hexahydro-1-hydroxymethyl-, dibromidedicrotonate, (1R-trans)-

Registry Numbers

CAS Registry Number

  • 62913-14-8

System Generated Number

  • 0062913148

Molecular Formulas

Molecular Formula

  • C34-H58-N2-O4.2Br

Molecular Formula Fragments

  • Br
  • C34-H58-N2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C34H58N2O4.2BrH/c1-3-15-33(37)39-27-29-19-25-35(23-13-17-31(29)35)21-11-9-7-5-6-8-10-12-22-36-24-14-18-32(36)30(20-26-36)28-40-34(38)16-4-2;;/h3-4,15-16,29-32H,5-14,17-28H2,1-2H3;2*1H/q+2;;/p-2/b15-3+,16-4+;;/t29-,30-,31+,32+,35?,36?;;/m0../s1

InChIKey

NWYICMPXVSOWKN-OEKLOMRBSA-L

Smiles

C/C=C/C(=O)OC[C@H]1[C@@H]2[N+](CC1)(CCC2)CCCCCCCCCC[N+]34[C@@H]([C@@H](CC3)COC(=O)/C=C/C)CCC4.[Br-].[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 1550ug/kg (1.55mg/kg) AUTONOMIC NERVOUS SYSTEM: SYMPATHOMIMETIC Pharmaceutical Chemistry Journal Vol. 11, Pg. 188, 1977.