C-Curarine
CAS Registry Number®
7168-64-1
CAS Name
C-CurarineMolecular Formula
C40H44N4OCite this Page
C-Curarine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=7168-64-1 (retrieved ) (CAS RN: 7168-64-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C40H44N4O/c1-5-25-23-43(3)17-15-37-29-11-7-10-14-34(29)42-22-32-28-20-36-38(16-18-44(36,4)24-26(28)6-2)30-12-8-9-13-33(30)41-21-31(27(25)19-35(37)43)39(37,42)45-40(32,38)41/h5-14,21-22,27-28,35-36H,15-20,23-24H2,1-4H3/q+2/b25-5-,26-6-/t27-,28-,35-,36-,37+,38+,39+,40+,43-,44-/m0/s1
InChIKey
InChIKey=DWELRYDMYVJVSL-TUHIATKQSA-N
SMILES
C[N@@+]12[C@@]3([C@@]4([C@]56N(C=7C4=CC=CC7)C=C8[C@@]9(O5)[C@@]%10([C@@]%11(C[C@]8(/C(=C\C)/C[N@+]%11(C)CC%10)[H])[H])C=%12C(N9C=C6[C@@](C3)(/C(=C\C)/C1)[H])=CC=CC%12)CC2)[H]
Canonical SMILES
O1C23C4=CN5C=6C=CC=CC6C78CC[N+]9(C)CC(=CC)C(C(=CN3C=%10C=CC=CC%10C%112CC[N+]%12(C)CC(=CC)C4CC%11%12)C157)CC89
Other Names for this Substance
- 10H,21H-19a,20b-Epoxy-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, 23,27-diethylidene-2,3,11,11a,13,14,22,22a-octahydro-1,12-dimethyl-, (1S,3aR,10S,11aS,12S,14aR,19aR,20bR,21S,22aS,23E,27E)-
- C-Curarine
- Toxiferine I, 18,18′-dideoxy-2,2′-epoxy-
- (1S,3aR,10S,11aS,12S,14aR,19aR,20bR,21S,22aS,23E,27E)-23,27-Diethylidene-2,3,11,11a,13,14,22,22a-octahydro-1,12-dimethyl-10H,21H-19a,20b-epoxy-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
- 10H,21H-19a,20b-Epoxy-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, 23,27-diethylidene-2,3,11,11a,13,14,22,22a-octahydro-1,12-dimethyl-, [1S-(1α,3aS*,10α,11aβ,12α,14aS*,19aα,20bα,21α,22aβ,23E,27E)]-
