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Substance Name: Pyrrolidinium, 1,1'-((3alpha,5alpha,17beta)-androstane-3,17-diyl)bis(1-methyl-, diiodide
RN: 13962-54-4
InChIKey: MFQJSNKMXLSFCD-LFJXGYEGSA-L

Molecular Formula

  • C29-H52-N2.2I

Molecular Weight

  • 682.544
 
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Names and Synonyms

Synonym

  • 3alpha,17beta-Dipyrrolidin-1'-yl-5alpha-androstane bismethiodide

Systematic Names

  • Pyrrolidinium, 1,1'-((3alpha,5alpha,17beta)-androstane-3,17-diyl)bis(1-methyl-, diiodide
  • Pyrrolidinium, 1,1'-(5alpha-androstan-3alpha,17beta-ylene)bis(1-methyl-, diiodide

Registry Numbers

CAS Registry Number

  • 13962-54-4

System Generated Number

  • 0013962544

Molecular Formulas

Molecular Formula

  • C29-H52-N2.2I

Molecular Formula Fragments

  • C29-H52-N2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C29H52N2.2HI/c1-28-15-13-23(30(3)17-5-6-18-30)21-22(28)9-10-24-25-11-12-27(31(4)19-7-8-20-31)29(25,2)16-14-26(24)28;;/h22-27H,5-21H2,1-4H3;2*1H/q+2;;/p-2/t22-,23?,24?,25?,26?,27?,28-,29-;;/m0../s1

InChIKey

MFQJSNKMXLSFCD-LFJXGYEGSA-L

Smiles

C1[C@@H](C[C@@H]2CC[C@@H]3[C@@H]4CC[C@@H]([C@@]4(C)CC[C@@H]3[C@@]2(C1)C)[N+]1(CCCC1)C)[N+]1(CCCC1)C.[IH-].[IH-]