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Substance Name: Malouetine
RN: 10308-44-8
InChIKey: ZKPCQHGEQUQGJK-NJRMFZBNSA-L

Note

  • Bis-quaternary steroidal diamine.

Classification Code

  • Mutation Data

Molecular Formula

  • C27-H52-N2.2I

Molecular Weight

  • 658.522
 
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Names and Synonyms

Name of Substance

  • Malouetine

Synonyms

  • Malouetin
  • Malouetine

Systematic Names

  • Ammonium, 5-alpha-pregnan-3-beta,20-alpha-ylenebis(trimethyl-, diiodide
  • Pregnane-3,20-diamminium, N,N,N,N',N',N'-hexamethyl-, diiodide, (3-beta,5-alpha,20S)- (9CI)

Registry Numbers

CAS Registry Number

  • 10308-44-8

System Generated Number

  • 0010308448

Molecular Formulas

Molecular Formula

  • C27-H52-N2.2I

Molecular Formula Fragments

  • C27-H52-N2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C27H52N2.2HI/c1-19(28(4,5)6)23-12-13-24-22-11-10-20-18-21(29(7,8)9)14-16-26(20,2)25(22)15-17-27(23,24)3;;/h19-25H,10-18H2,1-9H3;2*1H/q+2;;/p-2/t19-,20-,21-,22-,23?,24-,25-,26-,27+;;/m0../s1

InChIKey

ZKPCQHGEQUQGJK-NJRMFZBNSA-L

Smiles

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