Compound Summary
Zolantidine dimaleate
Compound Information
Zolantidine dimaleate
Compound Name: | Zolantidine dimaleate |
Compound CID: | 11957725 |
Synonyms: | Zolantidine dimaleate SKF 95282 dimaleate 104076-39-3 UNII-AL1YII70LM AL1YII70LM More... |
Iupac Name: | (Z)-but-2-enedioic acid;N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-1,3-benzothiazol-2-amine |
InChI: | InChI=1S/C22H27N3OS.2C4H4O4/c1-4-13-25(14-5-1)17-18-8-6-9-19(16-18)26-15-7-12-23-22-24-20-10-2-3-11-21(20)27-22;2*5-3(6)1-2-4(7)8/h2-3,6,8-11,16H,1,4-5,7,12-15,17H2,(H,23,24);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1- |
InChIKey: | IECBEVAUEBZJCF-SPIKMXEPSA-N |
Canonical Smiles: | C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC3=NC4=CC=CC=C4S3.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O |
Isomeric Smiles: | C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC3=NC4=CC=CC=C4S3.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O |
Molecular Weight: | 613.7 |
Molecular Formula: | C30H35N3O9S |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Zolantidine dimaleate
Molecular Weight: | 613.7 |
Molecular Formula: | C30H35N3O9S |
Hydrogen Bond Donor Count: | 5 |
Hydrogen Bond Acceptor Count: | 13 |
Rotatable Bond Count: | 12 |
Heavy Atom Count: | 43 |
Complexity: | 551 |
Synonyms
Zolantidine dimaleate
| Zolantidine dimaleate | Zolantidine dimaleate |
|---|---|
Zolantidine dimaleate |
SKF 95282 dimaleate |
104076-39-3 |
UNII-AL1YII70LM |
AL1YII70LM |
NCGC00094486-01 |
DSSTox_CID_25811 |
DSSTox_RID_81148 |
DSSTox_GSID_45811 |
N-(3-(3-(1-Piperidinylmethyl)phenoxy)propyl)-2-benzothiazolamine dimaleate |
N-3-3-(1-PIPERIDINYLMETHYL)PHENOXYPROPYL-2-BENZOTHIAZOLAMINE DIMALEATE |
N-3-3-(Piperidin-1-ylmethyl)phenoxypropyl-1,3-benzothiazol-2-amine dimaleate salt |
CAS-104076-39-3 |
SR-01000075175 |
CHEMBL1529009 |
DTXSID7045811 |
HMS3263J12 |
HMS3412E11 |
HMS3676E11 |
Tox21_111285 |
Tox21_501245 |
AKOS024456368 |
Tox21_111285_1 |
CCG-222549 |
LP01245 |
NCGC00015957-06 |
NCGC00261930-01 |
2-Benzothiazolamine, N-(3-(3-(1-piperidinylmethyl)phenoxy)propyl)-, (2Z)-2-butenedioate (1:2) |
EU-0101245 |
S 5317 |
J-001100 |
SKF-95282 dimaleate salt, solid, >98% (HPLC) |
SR-01000075175-1 |
SR-01000075175-3 |
Q27273973 |
N-(3-(3-(Piperidin-1-ylmethyl)phenoxy)propyl)benzodthiazol-2-amine dimaleate |
N-3-3-(1-Piperidinylmethyl)phenoxypropyl-2-benzothiazolamine dimaleate; Zolantidine |
(Z)-but-2-enedioic acid;N-3-3-(piperidin-1-ylmethyl)phenoxypropyl-1,3-benzothiazol-2-amine |
Experimental Data
Zolantidine dimaleate
| 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 | 10.000000000000000 | NS | N2 | 24134630 | Inactive | ||||||
| Caenorhabditis elegans | 100.000000000000000 | umol/L | 15.160000000000000 | 17.150000000000000 | 13.160000000000000 | S | N2 | 33008901 | Active | ||||
| Caenorhabditis elegans | 10.000000000000000 | umol/L | 16.580000000000000 | 17.760000000000000 | 7.139000000000000 | S | N2 | 33008901 | Active |
Experimental Data Visualization
Zolantidine dimaleate
Statistics Data
Zolantidine dimaleate
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 13.160000000000000 | 2 | 3 |
Statistics Data Visualization
Zolantidine dimaleate
