Compound Summary
BEMESETRON
Compound Information
BEMESETRON
Compound Name: | BEMESETRON |
Compound CID: | 671690 |
Synonyms: | BEMESETRON 40796-97-2 3-Tropanyl-3,5-dichlorobenzoate MDL 72222 MDL-72222 More... |
Iupac Name: | [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3,5-dichlorobenzoate |
InChI: | InChI=1S/C15H17Cl2NO2/c1-18-12-2-3-13(18)8-14(7-12)20-15(19)9-4-10(16)6-11(17)5-9/h4-6,12-14H,2-3,7-8H2,1H3/t12-,13+,14? |
InChIKey: | MNJNPLVXBISNSX-PBWFPOADSA-N |
Canonical Smiles: | CN1C2CCC1CC(C2)OC(=O)C3=CC(=CC(=C3)Cl)Cl |
Isomeric Smiles: | CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C3=CC(=CC(=C3)Cl)Cl |
Molecular Weight: | 314.2 |
Molecular Formula: | C15H17Cl2NO2 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
BEMESETRON
Molecular Weight: | 314.2 |
Molecular Formula: | C15H17Cl2NO2 |
Hydrogen Bond Donor Count: | 0 |
Hydrogen Bond Acceptor Count: | 3 |
Rotatable Bond Count: | 3 |
Heavy Atom Count: | 20 |
Complexity: | 355 |
Synonyms
BEMESETRON
| BEMESETRON | BEMESETRON |
|---|---|
BEMESETRON |
40796-97-2 |
3-Tropanyl-3,5-dichlorobenzoate |
MDL 72222 |
MDL-72222 |
UNII-O98T3677PA |
CHEMBL1365455 |
O98T3677PA |
MDL 72,222 |
(1S,5R)-8-methyl-8-azabicyclo3.2.1octan-3-yl 3,5-dichlorobenzoate |
DSSTox_CID_22632 |
DSSTox_RID_80063 |
DSSTox_GSID_42632 |
Bemesetronum |
Tropyl 3,5-dichlorobenzoate |
CAS-40796-97-2 |
Bemesetron USAN:INN |
Tropanyl 3,5-dichlorobenzoate |
Bemesetronum INN-Latin |
NCGC00016058-05 |
Tocris-0640 |
Bemesetron (USAN/INN) |
Lopac-T-8160 |
mdl72222 |
Bemesetron (MDL 72222) |
SCHEMBL195147 |
SCHEMBL195148 |
Tropanyl-3,5 dichlorobenzoate |
1alphaH,5alphaH-Tropan-3alpha-yl 3,5-dichlorobenzoate |
CHEMBL1257101 |
CHEMBL2107804 |
DTXSID8042632 |
BDBM82561 |
ZINC33131 |
tropan-3-yl-3,5-dichlorobenzoate |
endo-8-Methyl-8-azabicyclo(3.2.1)oct-3-yl 3,5-dichlorobenzoate |
HY-B1541 |
Tox21_110293 |
BDBM50155252 |
MFCD00865533 |
PDSP2_001503 |
Tox21_110293_1 |
ZINC100373652 |
ZINC101164087 |
NCGC00016058-01 |
NCGC00016058-02 |
NCGC00016058-07 |
NCGC00024702-01 |
NCGC00186619-01 |
CAS_40796-97-2 |
B6389 |
CS-0013371 |
D03073 |
Q4885099 |
1-Benzyl-2,5-bis(chloromethyl)piperidine hydrochloride |
(1R,5S)-8-methyl-8-azabicyclo3.2.1oct-3-yl 3,5-dichlorobenzoate |
8-Methyl-8-azabiciclo3.2.1oct-3-yl-3,5-dichlorobenzoate (MDL 72222) |
Benzoic acid, 3,5-dichloro-, (3-endo)-8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester (9CI) |
Benzoic acid, 3,5-dichloro-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, endo- |
3,5-Dichlorobenzoic acid (1S,5R,8-anti)-8-methyl-8-azabicyclo3.2.1octane-3beta-yl ester |
Experimental Data
BEMESETRON
| 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 | -12.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
BEMESETRON
Statistics Data
BEMESETRON
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -12.000000000000000 | 1 | 1 |
Statistics Data Visualization
BEMESETRON
