Compound Summary
Emetine dihydrochloride hydrate
Compound Information
Emetine dihydrochloride hydrate
Compound Name: | Emetine dihydrochloride hydrate |
Compound CID: | 201899 |
Synonyms: | Emetine dihydrochloride hydrate 7083-71-8 Emetine hydrochloride hydrate (+)-Emetine dihydrochloride hydrate UNII-99K15P31AB More... |
Iupac Name: | (2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine;hydrate;dihydrochloride |
InChI: | InChI=1S/C29H40N2O4.2ClH.H2O/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24;;;/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3;2*1H;1H2/t18-,21-,24+,25-;;;/m0.../s1 |
InChIKey: | IZTPMTAWOCEKKM-VXMYZLRESA-N |
Canonical Smiles: | CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC.O.Cl.Cl |
Isomeric Smiles: | CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC.O.Cl.Cl |
Molecular Weight: | 571.6 |
Molecular Formula: | C29H44Cl2N2O5 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Emetine dihydrochloride hydrate
Molecular Weight: | 571.6 |
Molecular Formula: | C29H44Cl2N2O5 |
Hydrogen Bond Donor Count: | 4 |
Hydrogen Bond Acceptor Count: | 7 |
Rotatable Bond Count: | 7 |
Heavy Atom Count: | 38 |
Complexity: | 679 |
Synonyms
Emetine dihydrochloride hydrate
| Emetine dihydrochloride hydrate | Emetine dihydrochloride hydrate |
|---|---|
Emetine dihydrochloride hydrate |
7083-71-8 |
Emetine hydrochloride hydrate |
(+)-Emetine dihydrochloride hydrate |
UNII-99K15P31AB |
emetine dihydrochloride monohydrate |
99K15P31AB |
(2S,3R,11bS)-2-(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-ylmethyl-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzoaquinolizine;hydrate;dihydrochloride |
2-(6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzoaquinolizine;hydrate;dihydrochloride |
emetine (dihydrochloride hydrate) |
Emetine, dihydrochloride, hydrate |
Emetan, 6,7,10,11-tetramethoxy-, dihydrochloride, hydrate |
C29H44Cl2N2O5 |
DTXSID4041024 |
NIOSH/JY4675000 |
NIOSH/JY4675020 |
NIOSH/JY4675040 |
HY-B1479B |
CHEBI:146000 |
DTXSID701018689 |
(-)-Emetine dihydrochloride hydrate |
Emetan, 6,7,10,11-tetramethoxy-, dihydrochloride, hydrate (9CI) |
(+-)-Emetine dihydrochloride hydrate |
AKOS030491864 |
CS-5994 |
AS-76481 |
JY46750000 |
JY46750200 |
JY46750400 |
D84035 |
6,7,10,11-tetramethoxyemetan dihydrochloride hydrate |
UNII-99K15P31AB component IZTPMTAWOCEKKM-VXMYZLRESA-N |
(+-)-6,7,10,11-Tetramethoxyemetan dihydrochloride hydrate" |
(-)-6,7,10,11-Tetramethoxyemetan dihydrochloride hydrate" |
(2S)-6,7,10,11-tetramethoxyemetan dihydrochloride hydrate" |
(2S)-6,7,10,11-tetramethoxyemetan dihydrochloride--water (1/1)" |
(2S)-6,7,10,11-tetramethoxyemetan-2,5-diium dichloride--water (1/1)" |
Emetan, 6,7,10,11-tetramethoxy-, dihydrochloride, hydrate, (+)-" |
Emetan, 6,7,10,11-tetramethoxy-, dihydrochloride, hydrate, (+-)-" |
Emetan, 6,7,10,11-tetramethoxy-, dihydrochloride, hydrate, (-)-" |
(1-beta,2-alpha,3-beta,14-beta)-6,7,10,11-Tetramethoxyemetan dihydrochloride hydrate" |
Experimental Data
Emetine dihydrochloride hydrate
| 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 | 9.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
Emetine dihydrochloride hydrate
Statistics Data
Emetine dihydrochloride hydrate
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 9.000000000000000 | 1 | 1 |
Statistics Data Visualization
Emetine dihydrochloride hydrate
