Compound Summary
Trequinsin hydrochloride
Compound Information
Trequinsin hydrochloride
Compound Name: | Trequinsin hydrochloride |
Compound CID: | 3060974 |
Synonyms: | Trequinsin hydrochloride 78416-81-6 HL 725 TCMDC-125545 HL-725 More... |
Iupac Name: | 9,10-dimethoxy-3-methyl-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one;hydrochloride |
InChI: | InChI=1S/C24H27N3O3.ClH/c1-14-9-15(2)23(16(3)10-14)25-22-13-19-18-12-21(30-6)20(29-5)11-17(18)7-8-27(19)24(28)26(22)4;/h9-13H,7-8H2,1-6H3;1H |
InChIKey: | DTCZZBVPTHVXFA-UHFFFAOYSA-N |
Canonical Smiles: | CC1=CC(=C(C(=C1)C)N=C2C=C3C4=CC(=C(C=C4CCN3C(=O)N2C)OC)OC)C.Cl |
Isomeric Smiles: | CC1=CC(=C(C(=C1)C)N=C2C=C3C4=CC(=C(C=C4CCN3C(=O)N2C)OC)OC)C.Cl |
Molecular Weight: | 441.9 |
Molecular Formula: | C24H28ClN3O3 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Trequinsin hydrochloride
Molecular Weight: | 441.9 |
Molecular Formula: | C24H28ClN3O3 |
Hydrogen Bond Donor Count: | 1 |
Hydrogen Bond Acceptor Count: | 4 |
Rotatable Bond Count: | 3 |
Heavy Atom Count: | 31 |
Complexity: | 709 |
Synonyms
Trequinsin hydrochloride
| Trequinsin hydrochloride | Trequinsin hydrochloride |
|---|---|
Trequinsin hydrochloride |
78416-81-6 |
HL 725 |
TCMDC-125545 |
HL-725 |
MFCD01076563 |
NCGC00094424-01 |
DSSTox_CID_25806 |
DSSTox_RID_81144 |
DSSTox_GSID_45806 |
9,10-dimethoxy-3-methyl-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido6,1-aisoquinolin-4-one;hydrochloride |
Trequinsin HCl |
CAS-78416-81-6 |
Trequinsin, Hydrochloride |
Trequinsinhydrochlorid |
4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3-methyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride |
CHEMBL527956 |
SCHEMBL7327917 |
CHEMBL1256910 |
DTXSID8045806 |
Trequinsin hydrochloride, >=98% |
Tox21_111279 |
Tox21_501165 |
HY-18740A |
AKOS024457057 |
Tox21_111279_1 |
CCG-222469 |
LP01165 |
NCGC00092376-01 |
NCGC00092376-06 |
NCGC00261850-01 |
9,10-Dimethoxy-2-mesitylimino-3-methyl-2,3,6,7-tetrahydro-4H-pyrimido-(6,1-a)-isoquinolin-4-one, HCl |
DB-056310 |
B7022 |
CS-0014222 |
EU-0101165 |
FT-0630860 |
T 2057 |
Trequinsin, Hydrochloride - CAS 78416-81-6 |
SR-01000076150 |
SR-01000076150-1 |
2,3,6,7-Tetrahydro-9,10-dimethoxy-3-methyl-2-(2,4,6-trimethylphenyl)imino-4H-pyrimido6,1-aisoquinolin-4-one hydrochloride |
Experimental Data
Trequinsin hydrochloride
| 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 | 27.000000000000000 | S | N2 | 33683565 | Active | ||||||
| Caenorhabditis elegans | 88.000000000000000 | umol/L | 27.000000000000000 | S | N2 | 24134630 | Active |
Experimental Data Visualization
Trequinsin hydrochloride
Statistics Data
Trequinsin hydrochloride
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 27.000000000000000 | 2 | 2 |
Statistics Data Visualization
Trequinsin hydrochloride
