Compound Summary
Clorotepine maleate
Compound Information
Clorotepine maleate
Compound Name: | Clorotepine maleate |
Compound CID: | 11957654 |
Synonyms: | Clorotepine maleate Octoclothepine maleate 4789-68-8 (+/-)-Octoclothepin maleate Octoclothepin maleate salt More... |
Iupac Name: | (Z)-but-2-enedioic acid;1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine |
InChI: | InChI=1S/C19H21ClN2S.C4H4O4/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19;5-3(6)1-2-4(7)8/h2-7,13,17H,8-12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1- |
InChIKey: | GWKBZIADWSOIQV-BTJKTKAUSA-N |
Canonical Smiles: | CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl.C(=CC(=O)O)C(=O)O |
Isomeric Smiles: | CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl.C(=C\C(=O)O)\C(=O)O |
Molecular Weight: | 461 |
Molecular Formula: | C23H25ClN2O4S |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Clorotepine maleate
Molecular Weight: | 461 |
Molecular Formula: | C23H25ClN2O4S |
Hydrogen Bond Donor Count: | 2 |
Hydrogen Bond Acceptor Count: | 7 |
Rotatable Bond Count: | 3 |
Heavy Atom Count: | 31 |
Complexity: | 518 |
Synonyms
Clorotepine maleate
| Clorotepine maleate | Clorotepine maleate |
|---|---|
Clorotepine maleate |
Octoclothepine maleate |
4789-68-8 |
(+/-)-Octoclothepin maleate |
Octoclothepin maleate salt |
NCGC00094205-01 |
DSSTox_CID_25791 |
DSSTox_RID_81132 |
DSSTox_GSID_45791 |
(Z)-but-2-enedioic acid;1-(3-chloro-5,6-dihydrobenzob1benzothiepin-5-yl)-4-methylpiperazine |
CAS-4789-68-8 |
VUFB-6281 |
(y)-Octoclothepin maleate |
(?)-Octoclothepin maleate |
CHEMBL1256660 |
DTXSID6045791 |
Octoclothepin maleate salt, solid |
HMS3262B12 |
Tox21_111259 |
Tox21_500885 |
8-Chloro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin maleate |
Tox21_111259_1 |
CCG-222189 |
LP00885 |
1-(8-CHLORO-10,11-DIHYDRODIBENZOB,FTHIEPIN-10-YL)-4-METHYL-PIPERAZINE MALEATE |
d,l-8-Chloro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin maleate |
NCGC00015759-05 |
NCGC00261570-01 |
EU-0100885 |
O-111 |
( inverted question mark)-Octoclothepin maleate |
SR-01000075390 |
SR-01000075390-1 |
Q27283532 |
1-(8-Chloro-10,11-dihydrobenzob,fthiepin-10-yl)-4-methyl-piperazine maleate |
Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methyl-, maleate |
Experimental Data
Clorotepine 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 | 38.000000000000000 | S | N2 | 33683565 | Active | ||||||
| Caenorhabditis elegans | 33.000000000000000 | umol/L | 33.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
Clorotepine maleate
Statistics Data
Clorotepine maleate
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 38.000000000000000 | 2 | 2 |
Statistics Data Visualization
Clorotepine maleate
