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Substance Name: 3alpha,17alpha-Bisdiethylamino-5alpha-androstane di(methiodide)
RN: 66-50-2
InChIKey: HQYJGSBDTMCORH-UVLJULLJSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H56-N2.2I

Molecular Weight

  • 686.575
 
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Names and Synonyms

Results Name

  • 3alpha,17alpha-Bisdiethylamino-5alpha-androstane di(methiodide)

Synonyms

  • (5-alpha-Androstane-3-alpha,17-alpha-diyl)bis(diethylmethylammonium iodide)
  • 3-alpha,17-alpha-Bisdiethylamino-5-alpha-androstane di(methiodide)

Systematic Name

  • Ammonium, (5-alpha-androstan-3-alpha,17-alpha-ylene)bis(diethylmethyl-, diiodide

Registry Numbers

CAS Registry Number

  • 66-50-2

System Generated Number

  • 0000066502

Molecular Formulas

Molecular Formula

  • C29-H56-N2.2I

Molecular Formula Fragments

  • C29-H56-N2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C29H56N2.2HI/c1-9-30(7,10-2)23-17-19-28(5)22(21-23)13-14-24-25-15-16-27(31(8,11-3)12-4)29(25,6)20-18-26(24)28;;/h22-27H,9-21H2,1-8H3;2*1H/q+2;;/p-2/t22?,23-,24+,25?,26?,27-,28+,29+;;/m1../s1

InChIKey

HQYJGSBDTMCORH-UVLJULLJSA-L

Smiles

C1[C@@H]2[C@H]3[C@@H]([C@@]4([C@@H](C[C@H]([N+](CC)(CC)C)CC4)CC3)C)CC[C@@]2([C@@H]([N+](CC)(CC)C)C1)C.[IH-].[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 3820ug/kg (3.82mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA Journal of Pharmacy and Pharmacology. Vol. 17, Pg. 55, 1965.