Compound Summary
Indatraline hydrochloride
Compound Information
Indatraline hydrochloride
Compound Name: | Indatraline hydrochloride |
Compound CID: | 10314472 |
Synonyms: | Indatraline hydrochloride Indatraline HCl 96850-13-4 CPD000449273 NCGC00094042-01 More... |
Iupac Name: | (1R,3S)-3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride |
InChI: | InChI=1S/C16H15Cl2N.ClH/c1-19-16-9-13(11-4-2-3-5-12(11)16)10-6-7-14(17)15(18)8-10;/h2-8,13,16,19H,9H2,1H3;1H/t13-,16+;/m0./s1 |
InChIKey: | QICQDZXGZOVTEF-MELYUZJYSA-N |
Canonical Smiles: | CNC1CC(C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl.Cl |
Isomeric Smiles: | CN[C@@H]1C[C@H](C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl.Cl |
Molecular Weight: | 328.7 |
Molecular Formula: | C16H16Cl3N |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Indatraline hydrochloride
Molecular Weight: | 328.7 |
Molecular Formula: | C16H16Cl3N |
Hydrogen Bond Donor Count: | 2 |
Hydrogen Bond Acceptor Count: | 1 |
Rotatable Bond Count: | 2 |
Heavy Atom Count: | 20 |
Complexity: | 309 |
Synonyms
Indatraline hydrochloride
| Indatraline hydrochloride | Indatraline hydrochloride |
|---|---|
Indatraline hydrochloride |
Indatraline HCl |
96850-13-4 |
CPD000449273 |
NCGC00094042-01 |
Lu 19-005 |
(1R,3S)-3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine hydrochloride |
SMR000449273 |
SR-01000075409 |
MFCD00083178 |
DSSTox_CID_22631 |
DSSTox_RID_80062 |
DSSTox_GSID_42631 |
MLS000758200 |
MLS001423997 |
Indatraline hydrochloride, solid |
CHEMBL1256749 |
DTXSID3042631 |
(1r,3s)-indatraline hydrochloride |
REGID_for_CID_10314472 |
Tox21_111238 |
Tox21_500684 |
AKOS024456685 |
CCG-100795 |
LP00684 |
NC00045 |
NCGC00261369-01 |
CAS-96850-13-4 |
B6799 |
EU-0100684 |
I-119 |
SR-01000075409-1 |
SR-01000075409-3 |
(1R,3S)-3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride |
(1R,3S)-rel-3-(3,4-Dichlorophenyl)-2,3-dihydro-N-methyl-1H-inden-1-amine hydrochloride |
(1R,3S)-3-(3,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl-methylazanium;chloride |
Experimental Data
Indatraline 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 | -4.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
Indatraline hydrochloride
Statistics Data
Indatraline hydrochloride
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -4.000000000000000 | 1 | 1 |
Statistics Data Visualization
Indatraline hydrochloride
