IUPAC name
N-{6-[(9H-fluoren-9-yl)dimethylazaniumyl]hexyl}-N,N-dimethyl-9H-fluoren-9-aminium; ethane
SMILES
CC.C[N+](C)(CCCCCC[N+](C)(C)C1C2=C(C=CC=C2)C2=C1C=CC=C2)C1C2=C(C=CC=C2)C2=C1C=CC=C2
Compound class
Neuromuscular Agents; Musculo-Skeletal System; Muscle Relaxants; Muscle Relaxants, Peripherally Acting Agents;
Therapeutic area
Used as an adjunct with succinylcholine (or suxamethonium chloride) to prolong muscle relaxation and to prevent succinylcholine-induced muscle fasciculations.
Common name
Hexafluronium
IUPAC name
N-{6-[(9H-fluoren-9-yl)dimethylazaniumyl]hexyl}-N,N-dimethyl-9H-fluoren-9-aminium; ethane
SMILES
CC.C[N+](C)(CCCCCC[N+](C)(C)C1C2=C(C=CC=C2)C2=C1C=CC=C2)C1C2=C(C=CC=C2)C2=C1C=CC=C2
INCHI
InChI=1S/C36H42N2.C2H6/c1-37(2,35-31-21-11-7-17-27(31)28-18-8-12-22-32(28)35)25-15-5-6-16-26-38(3,4)36-33-23-13-9-19-29(33)30-20-10-14-24-34(30)36;1-2/h7-14,17-24,35-36H,5-6,15-16,25-26H2,1-4H3;1-2H3/q+2;
FORMULA
C38H48N2
Common name
Hexafluronium
IUPAC name
N-{6-[(9H-fluoren-9-yl)dimethylazaniumyl]hexyl}-N,N-dimethyl-9H-fluoren-9-aminium; ethane
Molecular weight
502.732
clogP
2.660
clogS
-11.515
HBond Acceptor
0
HBond Donor
0
Total Polar Surface Area
0
Number of Rings
6
Rotatable Bond
9
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00064 | N,N-dimethylmethanamine |
|
N(C)(C)C | 0.0371 |
| FDBF00067 | butane |
|
CCCC | 0.0680 |
| FDBF00086 | hexane |
|
CCCCCC | 0.0151 |
| FDBF00289 | N,N-dimethylethanamine |
|
C(C)N(C)C | 0.0299 |
| FDBF00377 | N,N-dimethylpropan-1-amine |
|
N(C)(C)CCC | 0.0113 |
| FDBF02113 | 9-(trimethyl-λ4-azanyl)-9H-fluorene |
|
C1(c2c(cccc2)-c3c1cccc3)[N](C)(C)C | 0.0003 |
| FDBF02114 | 9-[ethyl(dimethyl)-λ4-azanyl]-9H-fluorene |
|
C1(c2c(cccc2)-c3c1cccc3)[N](C)(C)CC | 0.0003 |
| FDBF02115 | N,N-dimethylbutan-1-amine |
|
CCCCN(C)C | 0.0014 |
| FDBF02116 | 9-[dimethyl(propyl)-λ4-azanyl]-9H-fluorene |
|
CCC[N](C1c2c(cccc2)-c3c1cccc3)(C)C | 0.0003 |
