Alcuronium

CAS Registry Number®

23214-96-2

CAS Name

Alcuronium

Molecular Formula

C44H50N4O2

Cite this Page

Alcuronium.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=23214-96-2 (retrieved 2024-11-23) (CAS RN: 23214-96-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C44H50N4O2/c1-3-17-47-19-15-43-35-9-5-7-11-37(35)45-26-34-32-24-40-44(16-20-48(40,18-4-2)28-30(32)14-22-50)36-10-6-8-12-38(36)46(42(34)44)25-33(41(43)45)31(23-39(43)47)29(27-47)13-21-49/h3-14,25-26,31-32,39-42,49-50H,1-2,15-24,27-28H2/q+2/b29-13-,30-14-,33-25?,34-26?/t31-,32-,39-,40-,41-,42-,43+,44+,47-,48-/m0/s1

InChIKey

InChIKey=MUQUYTSLDVKIOF-BBMNSBIFSA-N

SMILES

C(C=C)[N@@+]12[C@@]3([C@@]4([C@@]5(C([C@@](C3)(/C(=C\CO)/C1)[H])=CN6[C@]7(C(=CN5C=8C4=CC=CC8)[C@]/9(C[C@]%10([C@]7(C=%11C6=CC=CC%11)CC[N@@+]%10(CC=C)C\C9=C\CO)[H])[H])[H])[H])CC2)[H]

Canonical SMILES

OCC=C1C[N+]2(CC=C)CCC34C=5C=CC=CC5N6C=C7C8C(=CCO)C[N+]9(CC=C)CCC%10(C=%11C=CC=CC%11N(C=C(C1CC32)C64)C7%10)C9C8

Other Names for this Substance

  • 10H,21H-1,21:10,12-Diethano-19aH,20bH-dipyrrolo[3,2-f:3′,2′-f′][1,5]diazocino[3,2,1-jk:7,6,5-j'k′]dicarbazolium, 2,3,11,11a,13,14,22,22a-octahydro-23,26-bis(2-hydroxyethylidene)-1,12-di-2-propen-1-yl-, (1R,3aS,10S,11aS,12R,14aS,19aS,20bS,21S,22aS,23E,26E)-
  • Nortoxiferinium, N,N′-diallyl-
  • Toxiferine I, 4,4′-didemethyl-4,4′-di-2-propenyl-
  • 10H,21H-1,21:10,12-Diethano-19aH,20bH-dipyrrolo[3,2-f:3′,2′-f′][1,5]diazocino[3,2,1-jk:7,6,5-j'k′]dicarbazolium, 2,3,11,11a,13,14,22,22a-octahydro-23,26-bis(2-hydroxyethylidene)-1,12-di-2-propenyl-, (1R,3aS,10S,11aS,12R,14aS,19aS,20bS,21S,22aS,23E,26E)-
  • (1R,3aS,10S,11aS,12R,14aS,19aS,20bS,21S,22aS,23E,26E)-2,3,11,11a,13,14,22,22a-Octahydro-23,26-bis(2-hydroxyethylidene)-1,12-di-2-propen-1-yl-10H,21H-1,21:10,12-diethano-19aH,20bH-dipyrrolo[3,2-f:3′,2′-f′][1,5]diazocino[3,2,1-jk:7,6,5-j'k′]dicarbazolium

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Deleted or Replaced CAS Registry Numbers

35-59-6, 19289-69-1, 33392-75-5

CAS INSIGHTSTM
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