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Substance Name: Pyrrolidinium, 1-methyl-1-(2-(((17-beta)-17-(trimethylammonia)estra-1,3,5-trien-3-yl)oxy)ethyl)-, diiodide, (17-beta)-
RN: 142575-15-3
InChIKey: MIPZZCBTBXCBDR-KMZHGQMHSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H46-N2-O.2I

Molecular Weight

  • 680.4844
 
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Names and Synonyms

  • Pyrrolidinium, 1-methyl-1-(2-(((17-beta)-17-(trimethylammonia)estra-1,3,5-trien-3-yl)oxy)ethyl)-, diiodide, (17-beta)-

Registry Numbers

CAS Registry Number

  • 142575-15-3

System Generated Number

  • 0142575153

Molecular Formulas

Molecular Formula

  • C28-H46-N2-O.2I

Molecular Formula Fragments

  • C28-H46-N2-O
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C28H46N2O.2HI/c1-28-15-14-24-23-11-9-22(31-19-18-30(5)16-6-7-17-30)20-21(23)8-10-25(24)26(28)12-13-27(28)29(2,3)4;;/h9,11,20,24-27H,6-8,10,12-19H2,1-5H3;2*1H/q+2;;/p-2/t24?,25?,26?,27-,28-;;/m0../s1

InChIKey

MIPZZCBTBXCBDR-KMZHGQMHSA-L

Smiles

C[C@]12CCC3c4ccc(cc4CCC3C1CC[C@@H]2[N+](C)(C)C)OCC[N+]5(CCCC5)C.[I-].[I-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intraperitoneal 261ug/kg (0.261mg/kg) PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 31, Pg. 322, 1992.