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CAS 10308-44-8

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Pregnane-3,20-diaminium, N,N,N,N′,N′,N′-hexamethyl-, diiodide, (3β,5α,20S)-

Description:
Pregnane-3,20-diaminium, N,N,N,N′,N′,N′-hexamethyl-, diiodide, known by its CAS number 10308-44-8, is a synthetic compound derived from the steroid pregnane. This substance features a complex structure characterized by the presence of two ammonium groups, which are quaternized with hexamethyl groups, enhancing its solubility and reactivity. The diiodide form indicates the presence of two iodine atoms, which can influence its biological activity and stability. Typically, compounds of this nature are studied for their potential pharmacological properties, particularly in relation to their interactions with biological membranes and receptors. The specific stereochemistry, indicated by the (3β,5α,20S) notation, suggests a particular three-dimensional arrangement that can significantly affect the compound's biological function. Overall, this compound is of interest in medicinal chemistry and pharmacology, particularly in the context of steroidal compounds and their derivatives.
Formula:C27H52N2·2I
InChI: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
InChI key:InChIKey=ZKPCQHGEQUQGJK-DMZQXVSVSA-L
SMILES:C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@@](CC3)(C[C@@H]([N@+](C)(C)C)CC4)[H])(CC1)[H])[H])(CC[C@@]2([C@@H]([N+](C)(C)C)C)[H])[H].[I-]
Synonyms:
  • Ammonium, 5α-pregnan-3β,20α-ylenebis[trimethyl-, diiodide
  • Ammonium, 5-alpha-pregnan-3-beta,20-alpha-ylenebis(trimethyl-, diiodide
  • Malouetin
  • 5α-Pregnane, 3β,20α-bis(trimethylammonio)-, diiodide
  • 5α-Pregnan-3β,20α-ylenebis[trimethylammonium iodide]
  • Pregnane-3,20-diaminium, N,N,N,N′,N′,N′-hexamethyl-, diiodide, (3β,5α,20S)-
  • Pregnane-3,20-diamminium, N,N,N,N',N',N'-hexamethyl-, diiodide, (3-beta,5-alpha,20S)- (9CI)
  • Malouetine
  • (3beta,5alpha,17xi,20S)-N~3~,N~3~,N~3~,N~20~,N~20~,N~20~-hexamethylpregnane-3,20-diaminium diiodide
  • 3β,20α-Bisdimethylamino-5α-pregnane methiodide
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