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Substance Name: Pyrrolidinium, 1,1'-((3alpha,5beta,17beta)-androstane-3,17-diyl)bis(1-methyl-, diiodide
RN: 13861-14-8
InChIKey: MFQJSNKMXLSFCD-VFRDGVGPSA-L

Molecular Formula

  • C29-H52-N2.2I

Molecular Weight

  • 682.5438
 
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Names and Synonyms

Synonyms

  • 3alpha,17beta-Dipyrrolidin-1'-yl-5beta-androstane bismethiodide
  • Pyrrolidinium, 1,1'-(5beta)-androstane-3alpha,17beta-ylene)bis(1-methyl-, diiodie

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 13861-14-8

System Generated Number

  • 0013861148

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+;;/m1../s1

InChIKey

MFQJSNKMXLSFCD-VFRDGVGPSA-L

Smiles

[N+]1(CCCC1)(C)[C@@H]1[C@@]2([C@H]([C@H]3[C@@H]([C@@]4([C@H](CC3)C[C@H]([N+]3(CCCC3)C)CC4)C)CC2)CC1)C.[I-].[I-]