dipyrandium iodide (Q15633987)

inferred from SMILES

chemical structure

Dipyrandium iodide.svg
1,450 × 1,235; 24 KB

0 references

mass

682.221996±0 dalton

1 reference

Dipyrandium (English)

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

19 September 2016

stereoisomer of

2 references

inferred from InChIKey

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

inferred from InChI

2 references

inferred from InChIKey

inferred from InChI

chemical formula

C₂₉H₅₂I₂N₂

1 reference

Dipyrandium (English)

19 September 2016

canonical SMILES

CC12CCC(CC1CCC3C2CCC4(C3CCC4[N+]5(CCCC5)C)C)[N+]6(CCCC6)C.[I-].[I-]

1 reference

Dipyrandium (English)

19 September 2016

isomeric SMILES

C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4[N+]5(CCCC5)C)C)[N+]6(CCCC6)C.[I-].[I-]

1 reference

Dipyrandium (English)

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

19 September 2016

Identifiers

InChI

1 reference

Dipyrandium (English)

MFQJSNKMXLSFCD-UADHMQRGSA-L

19 September 2016

InChIKey

1 reference

Dipyrandium (English)

imported from Wikimedia project

19 September 2016

CAS Registry Number

33235-64-2

1 reference

1 reference

(3beta,5alpha,17beta)-3,17-Bis(1-methyl-1-pyrrolidiniumyl)androstane diiodide (English)

19 September 2016

1 reference