Compound Summary
Compound Information
Bicuculline methobromide
Compound Name: | Bicuculline methobromide |
Compound CID: | 6852386 |
Synonyms: | Bicuculline methobromide 66016-70-4 (-)-Bicuculline methbromide, 1(S), 9(R) 1(S),9(R)-(-)-Bicuculline methbromide MLS000028756 More... |
Iupac Name: | (6R)-6-[(5S)-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-6H-furo[3,4-g][1,3]benzodioxol-8-one;bromide |
InChI: | InChI=1S/C21H20NO6.BrH/c1-22(2)6-5-11-7-15-16(26-9-25-15)8-13(11)18(22)19-12-3-4-14-20(27-10-24-14)17(12)21(23)28-19;/h3-4,7-8,18-19H,5-6,9-10H2,1-2H3;1H/q+1;/p-1/t18-,19+;/m0./s1 |
InChIKey: | BWXCECYGGMGBHD-GRTNUQQKSA-M |
Canonical Smiles: | C[N+]1(CCC2=CC3=C(C=C2C1C4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3)C.[Br-] |
Isomeric Smiles: | C[N+]1(CCC2=CC3=C(C=C2[C@H]1[C@H]4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3)C.[Br-] |
Molecular Weight: | 462.3 |
Molecular Formula: | C21H20BrNO6 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Bicuculline methobromide
Molecular Weight: | 462.3 |
Molecular Formula: | C21H20BrNO6 |
Hydrogen Bond Donor Count: | 0 |
Hydrogen Bond Acceptor Count: | 7 |
Rotatable Bond Count: | 1 |
Heavy Atom Count: | 29 |
Complexity: | 655 |
Synonyms
Bicuculline methobromide
| Bicuculline methobromide | Bicuculline methobromide |
|---|---|
Bicuculline methobromide |
66016-70-4 |
(-)-Bicuculline methbromide, 1(S), 9(R) |
1(S),9(R)-(-)-Bicuculline methbromide |
MLS000028756 |
SMR000058678 |
(6R)-6-(5S)-6,6-dimethyl-7,8-dihydro-5H-1,3dioxolo4,5-gisoquinolin-6-ium-5-yl-6H-furo3,4-g1,3benzodioxol-8-one;bromide |
Opera_ID_544 |
(-)-Bicuculine Methbromide |
(-)-Bicuculline Methbromide |
CHEMBL1256837 |
DTXSID30216233 |
HMS2234F21 |
HMS3260D13 |
HMS3266A03 |
HMS3414D17 |
HMS3678D17 |
R-(R*,S*)-5-(6,8-Dihydro-8-oxofuro3,4-e-1,3-benzodioxol-6-yl)-5,6,7,8-tetrahydro-6,6-dimethyl-1,3-dioxolo4,5-gisoquinolinium bromide |
Tox21_500176 |
MFCD00055149 |
AKOS024456381 |
LP00176 |
NCGC00260861-01 |
(5S)-5-(6R)-6,8-Dihydro-8-oxofuro3,4-e-1,3-benzodioxol-6-yl-5,6,7,8-tetrahydro-6,6-dimethyl-1,3-dioxolo4,5-gisoquinolinium bromide (1:1) |
EU-0100176 |
SR-01000075600 |
SR-01000075600-1 |
1,3-Dioxolo(4,5-g)isoquinolinium, 5-(6,8-dihydro-8-oxofuro(3,4-e)-1,3-benzodioxol-6-yl)-5,6,7,8-tetrahydro-6,6-dimethyl-, bromide, (R-(R*,S*))- |
Experimental Data
Bicuculline methobromide
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33 | umol/L | 0 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
Bicuculline methobromide
Statistics Data
Bicuculline methobromide
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 0 | 1 | 1 |
Statistics Data Visualization
Bicuculline methobromide
