Dihydrochandonium

Dihydrochandonium is an aminosteroid non-depolarizing neuromuscular blocking agent.[1]

Dihydrochandonium
Names
IUPAC name
(4aS,4bR,6aS,8R,10aS,10bS,12aS)-1,1,10a,12a-tetramethyl-8-(1-methylpyrrolidin-1-ium-1-yl)-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-2H-naphtho[2,1-f]quinolin-1-ium
Other names
Duador
Identifiers
CAS Number
3D model (JSmol)
ChemSpider
PubChem CID
InChI
  • InChI=1S/C26H48N2.2HI/c1-25-14-12-21(28(5)17-6-7-18-28)19-20(25)10-11-22-23(25)13-15-26(2)24(22)9-8-16-27(26,3)4;;/h20-24H,6-19H2,1-5H3;2*1H/q+2;;/p-2/t20-,21-,22+,23-,24-,25-,26-;;/m0../s1
    Key: ZLFADLFGBBXRJJ-SPPKVZINSA-L
  • dibromide: InChI=1S/C26H48N2.2BrH/c1-25-14-12-21(28(5)17-6-7-18-28)19-20(25)10-11-22-23(25)13-15-26(2)24(22)9-8-16-27(26,3)4;;/h20-24H,6-19H2,1-5H3;2*1H/q+2;;/p-2/t20-,21+,22+,23-,24-,25-,26-;;/m0../s1
    Key: PDNBZMXDIQRBBZ-KMYXDLQKSA-L
  • diiodide: InChI=1S/C26H48N2.2HI/c1-25-14-12-21(28(5)17-6-7-18-28)19-20(25)10-11-22-23(25)13-15-26(2)24(22)9-8-16-27(26,3)4;;/h20-24H,6-19H2,1-5H3;2*1H/q+2;;/p-2/t20-,21-,22+,23-,24-,25-,26-;;/m0../s1
    Key: ZLFADLFGBBXRJJ-SPPKVZINSA-L
SMILES
  • C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC[N+]4(C)C)C)[N+]5(CCCC5)C
  • dibromide: C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC[N+]4(C)C)C)[N+]5(CCCC5)C.[Br-].[Br-]
  • diiodide: C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC[N+]4(C)C)C)[N+]5(CCCC5)C.[I-].[I-]
Properties
Chemical formula
 C26H48N2−2
Molar mass 388.685 g·mol−1
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Infobox references

References
  1. Fitzal, S; Ilias, W; Kalina, K; Schwarz, S; Foldes, FF; Steinbereithner, K (1982). "Neuromuscular and cardiovascular effects of Duador, a new short-acting nondepolarizing muscle relaxant". Der Anaesthesist. 31 (12): 674–9. PMID 6299129.


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