Compound Summary
Compound Information
APTIGANEL HYDROCHLORIDE
Compound Name: | APTIGANEL HYDROCHLORIDE |
Compound CID: | 60839 |
Synonyms: | APTIGANEL HYDROCHLORIDE Cerestat CNS-1102 137160-11-3 Cns 1102 More... |
Iupac Name: | 1-(3-ethylphenyl)-1-methyl-2-naphthalen-1-ylguanidine;hydrochloride |
InChI: | InChI=1S/C20H21N3.ClH/c1-3-15-8-6-11-17(14-15)23(2)20(21)22-19-13-7-10-16-9-4-5-12-18(16)19;/h4-14H,3H2,1-2H3,(H2,21,22);1H |
InChIKey: | CKAKVKWRMCAYJD-UHFFFAOYSA-N |
Canonical Smiles: | CCC1=CC(=CC=C1)N(C)C(=NC2=CC=CC3=CC=CC=C32)N.Cl |
Isomeric Smiles: | CCC1=CC(=CC=C1)N(C)C(=NC2=CC=CC3=CC=CC=C32)N.Cl |
Molecular Weight: | 339.9 |
Molecular Formula: | C20H22ClN3 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
APTIGANEL HYDROCHLORIDE
Molecular Weight: | 339.9 |
Molecular Formula: | C20H22ClN3 |
Hydrogen Bond Donor Count: | 2 |
Hydrogen Bond Acceptor Count: | 1 |
Rotatable Bond Count: | 4 |
Heavy Atom Count: | 24 |
Complexity: | 406 |
Synonyms
APTIGANEL HYDROCHLORIDE
| APTIGANEL HYDROCHLORIDE | APTIGANEL HYDROCHLORIDE |
|---|---|
APTIGANEL HYDROCHLORIDE |
Cerestat |
CNS-1102 |
137160-11-3 |
Cns 1102 |
UNII-40PWH14OXW |
40PWH14OXW |
NCGC00093759-01 |
Aptiganel HCl |
1-(3-ethylphenyl)-1-methyl-2-naphthalen-1-ylguanidine;hydrochloride |
DSSTox_CID_25762 |
DSSTox_RID_81104 |
DSSTox_GSID_45762 |
CHEMBL554054 |
SMR000326976 |
CAS-137160-11-3 |
MLS000862213 |
MLS001056791 |
SCHEMBL871689 |
DTXSID9045762 |
N-(1-Naphthyl)-N-(3-ethylphenyl)-N-methylguanidine hcl |
Tox21_111220 |
Tox21_500312 |
AKOS025293480 |
Tox21_111220_1 |
CCG-221616 |
LP00312 |
NCGC00015236-04 |
NCGC00260997-01 |
CNS-1102, >98% (HPLC), solid |
C-305 |
EU-0100312 |
SR-01000075235 |
SR-01000075235-1 |
Q27258350 |
N-(1-naphthyl)-N-(m-ethylphenyl)-N-methyl-guanidine hydrochloride" |
N-(1-naphthyl)-N-(m-ethylphenyl)-N-methylguanidine hydrochloride" |
N-(3-Ethylphenyl)-N-methyl-N-1-naphthalenylguanidine hydrochloride |
1-(3-ethylphenyl)-1-methyl-2-naphthalen-1-ylguanidine hydrochloride. |
1-(3-Ethylphenyl)-1-methyl-3-(naphthalen-1-yl)guanidine hydrochloride |
1-(m-Ethylphenyl)-1-methyl-3-(1-naphthyl)guanidine monohydrochloride |
Guanidine, N-(3-ethylphenyl)-N-methyl-N-1-naphthalenyl, monohydrochloride" |
Guanidine, N-(3-ethylphenyl)-N-methyl-N-1-naphthalenyl-, monohydrochloride |
N-(3-Ethylphenyl)-N-methyl-N inverted question mark-1-naphthalenylguanidine monohydrochloride; Cerestat; Aptiganel hydrochloride |
Experimental Data
APTIGANEL HYDROCHLORIDE
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33 | umol/L | 7 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
APTIGANEL HYDROCHLORIDE
Statistics Data
APTIGANEL HYDROCHLORIDE
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 7 | 1 | 1 |
Statistics Data Visualization
APTIGANEL HYDROCHLORIDE
