Compound Summary
Hemicholinium-3
Compound Information
Hemicholinium-3
Compound Name: | Hemicholinium-3 |
Compound CID: | 9399 |
Synonyms: | Hemicholinium-3 312-45-8 Hemicholinium bromide HEMICHOLINIUM 3 Hemicholinium dibromide More... |
Iupac Name: | 2-[4-[4-(2-hydroxy-4,4-dimethylmorpholin-4-ium-2-yl)phenyl]phenyl]-4,4-dimethylmorpholin-4-ium-2-ol;dibromide |
InChI: | InChI=1S/C24H34N2O4.2BrH/c1-25(2)13-15-29-23(27,17-25)21-9-5-19(6-10-21)20-7-11-22(12-8-20)24(28)18-26(3,4)14-16-30-24;;/h5-12,27-28H,13-18H2,1-4H3;2*1H/q+2;;/p-2 |
InChIKey: | OPYKHUMNFAMIBL-UHFFFAOYSA-L |
Canonical Smiles: | C[N+]1(CCOC(C1)(C2=CC=C(C=C2)C3=CC=C(C=C3)C4(C[N+](CCO4)(C)C)O)O)C.[Br-].[Br-] |
Isomeric Smiles: | C[N+]1(CCOC(C1)(C2=CC=C(C=C2)C3=CC=C(C=C3)C4(C[N+](CCO4)(C)C)O)O)C.[Br-].[Br-] |
Molecular Weight: | 574.3 |
Molecular Formula: | C24H34Br2N2O4 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Hemicholinium-3
Molecular Weight: | 574.3 |
Molecular Formula: | C24H34Br2N2O4 |
Hydrogen Bond Donor Count: | 2 |
Hydrogen Bond Acceptor Count: | 6 |
Rotatable Bond Count: | 3 |
Heavy Atom Count: | 32 |
Complexity: | 544 |
Synonyms
Hemicholinium-3
| Hemicholinium-3 | Hemicholinium-3 |
|---|---|
Hemicholinium-3 |
312-45-8 |
Hemicholinium bromide |
HEMICHOLINIUM 3 |
Hemicholinium dibromide |
Hemicholine |
Hemicholinium-3 dibromide |
UNII-65NY3I7ZD0 |
Hemicholinium-3 bromide |
Hemicholinium 3 dibromide |
65NY3I7ZD0 |
Morpholinium, 2,2-(1,1-biphenyl)-4,4-diylbis(2-hydroxy-4,4-dimethyl-, dibromide" |
Morpholinium, 2,2-1,1-biphenyl-4,4-diylbis2-hydroxy-4,4-dimethyl-, dibromide |
Hemicholinium 3 dibromide; Hemicholinium bromide; Hemicholinium dibromide; Hemicholinium-3 bromide |
3Hhemicholinium-3 |
3H-hemicholinium-3 |
SR-01000075620 |
EINECS 206-227-3 |
NSC 527583 |
Morpholinium, 2,2-(1,1-biphenyl)-4,4-diylbis(2-hydroxy-4,4-dimethyl-, bromide (1:2)" |
Morpholinium, 2,2-1,1-biphenyl-4,4-diylbis2-hydroxy-4,4-dimethyl-, bromide (1:2) |
3HHC-3 |
Prestwick_566 |
3H-HC-3 |
SCHEMBL564623 |
CHEMBL197027 |
GTPL4493 |
C24H34N2O4.2Br |
DTXSID80883358 |
HMS1569O07 |
HMS2096O07 |
HMS3261D18 |
HMS3713O07 |
HMS3885F21 |
Tox21_500578 |
2461AH |
MFCD00011978 |
2,2-(4,4-Biphenylene)bis(2-hydroxy-4,4-dimethylmorpholinium) dibromide |
AKOS026750387 |
CCG-220393 |
CCG-221882 |
LP00578 |
Morpholinium, 2,2-(1,1-biphenyl)-4,4-diylbis(2-hydroxy-4,4-dimethyl)-, dibromide" |
Morpholinium, 2,2-(4,4-biphenylylene)bis(2-hydroxy-4,4-dimethyl-, dibromide |
NCGC00093959-01 |
NCGC00261263-01 |
Hemicholinium-3, solid, >=95% (HPLC) |
EU-0100578 |
FT-0741707 |
H-108 |
J-018290 |
SR-01000075620-1 |
SR-01000075620-5 |
Q15409437 |
2,2-(4,4-Biphenylene)bis(2-hydroxy-4,4-dimethylmorpholinium bromide)" |
2,2-(1,1-Biphenyl)-4,4-diylbis(2-hydroxy-4,4-dimethyl-morpholinium) dibromide (9CI)" |
2,2-(biphenyl-4,4-diyl)bis(2-hydroxy-4,4-dimethylmorpholin-4-ium) bromide |
2-hydroxy-2-{4-4-(2-hydroxy-4,4-dimethylmorpholin-4-ium-2-yl)phenylphenyl}-4,4-dimethylmorpholin-4-ium dibromide |
Experimental Data
Hemicholinium-3
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33.000000000000000 | umol/L | 8.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
Hemicholinium-3
Statistics Data
Hemicholinium-3
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 8.000000000000000 | 1 | 1 |
Statistics Data Visualization
Hemicholinium-3
