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Substance Name: Estra-1,3,5(10)-trien-17-aminium, N,N,N-trimethyl-3-(2-(trimethylammonio)ethoxy)-, diiodide, (17-beta)-
RN: 142575-13-1
InChIKey: LWEFCZQLXGTRNG-VBCLIIPOSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H44-N2-O.2I

Molecular Weight

  • 654.4466
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 142575-13-1

System Generated Number

  • 0142575131

Molecular Formulas

Molecular Formula

  • C26-H44-N2-O.2I

Molecular Formula Fragments

  • C26-H44-N2-O
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C26H44N2O.2HI/c1-26-15-14-22-21-11-9-20(29-17-16-27(2,3)4)18-19(21)8-10-23(22)24(26)12-13-25(26)28(5,6)7;;/h9,11,18,22-25H,8,10,12-17H2,1-7H3;2*1H/q+2;;/p-2/t22-,23-,24+,25+,26+;;/m1../s1

InChIKey

LWEFCZQLXGTRNG-VBCLIIPOSA-L

Smiles

C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2[N+](C)(C)C)OCC[N+](C)(C)C.[I-].[I-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intraperitoneal 147ug/kg (0.147mg/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.