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Substance Name: Estra-1,3,5(10)-trien-17-aminium, 3-(2-(diethylmethylammonio)ethoxy)-N,N,N-trimethyl-, diiodide, (17-beta)-
RN: 142575-14-2
InChIKey: FOCGJZBCYHVLGN-CGAZJHLKSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H48-N2-O.2I

Molecular Weight

  • 682.5002
 
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Names and Synonyms

  • Estra-1,3,5(10)-trien-17-aminium, 3-(2-(diethylmethylammonio)ethoxy)-N,N,N-trimethyl-, diiodide, (17-beta)-

Registry Numbers

CAS Registry Number

  • 142575-14-2

System Generated Number

  • 0142575142

Molecular Formulas

Molecular Formula

  • C28-H48-N2-O.2I

Molecular Formula Fragments

  • C28-H48-N2-O
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C28H48N2O.2HI/c1-8-30(7,9-2)18-19-31-22-11-13-23-21(20-22)10-12-25-24(23)16-17-28(3)26(25)14-15-27(28)29(4,5)6;;/h11,13,20,24-27H,8-10,12,14-19H2,1-7H3;2*1H/q+2;;/p-2/t24-,25-,26+,27+,28+;;/m1../s1

InChIKey

FOCGJZBCYHVLGN-CGAZJHLKSA-L

Smiles

CC[N+](C)(CC)CCOc1ccc2c(c1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4[N+](C)(C)C)C.[I-].[I-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intraperitoneal 215ug/kg (0.215mg/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.