Compound Summary
BRL 54443 maleate
Compound Information
BRL 54443 maleate
Compound Name: | BRL 54443 maleate |
Compound CID: | 11957480 |
Synonyms: | BRL 54443 maleate 1197333-54-2 (Z)-but-2-enedioic acid;3-(1-methylpiperidin-4-yl)-1H-indol-5-ol EU-0100207 3-(1-Methylpiperidin-4-yl)-1H-indol-5-ol maleate More... |
Iupac Name: | (Z)-but-2-enedioic acid;3-(1-methylpiperidin-4-yl)-1H-indol-5-ol |
InChI: | InChI=1S/C14H18N2O.C4H4O4/c1-16-6-4-10(5-7-16)13-9-15-14-3-2-11(17)8-12(13)14;5-3(6)1-2-4(7)8/h2-3,8-10,15,17H,4-7H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1- |
InChIKey: | INGCLXPSKXSYND-BTJKTKAUSA-N |
Canonical Smiles: | CN1CCC(CC1)C2=CNC3=C2C=C(C=C3)O.C(=CC(=O)O)C(=O)O |
Isomeric Smiles: | CN1CCC(CC1)C2=CNC3=C2C=C(C=C3)O.C(=C\C(=O)O)\C(=O)O |
Molecular Weight: | 346.4 |
Molecular Formula: | C18H22N2O5 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
BRL 54443 maleate
Molecular Weight: | 346.4 |
Molecular Formula: | C18H22N2O5 |
Hydrogen Bond Donor Count: | 4 |
Hydrogen Bond Acceptor Count: | 6 |
Rotatable Bond Count: | 3 |
Heavy Atom Count: | 25 |
Complexity: | 382 |
Synonyms
BRL 54443 maleate
| BRL 54443 maleate | BRL 54443 maleate |
|---|---|
BRL 54443 maleate |
1197333-54-2 |
(Z)-but-2-enedioic acid;3-(1-methylpiperidin-4-yl)-1H-indol-5-ol |
EU-0100207 |
3-(1-Methylpiperidin-4-yl)-1H-indol-5-ol maleate |
SCHEMBL4799792 |
CHEMBL1256797 |
BRL 54443 maleate salt, solid |
DTXSID101017102 |
HMS3260J15 |
Tox21_500207 |
CCG-221511 |
LP00207 |
NCGC00093680-01 |
NCGC00260892-01 |
B-173 |
J-004192 |
SR-01000075573-1 |
1H-Indol-5-ol, 3-(1-methyl-4-piperidinyl)-, (2Z)-2-butenedioate (1:1) |
Experimental Data
BRL 54443 maleate
| 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 | 6.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
BRL 54443 maleate
Statistics Data
BRL 54443 maleate
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 6.000000000000000 | 1 | 1 |
Statistics Data Visualization
BRL 54443 maleate
