Compound Summary
Itriglumide sodium
Compound Information
Itriglumide sodium
Compound Name: | Itriglumide sodium |
Compound CID: | 23704140 |
Synonyms: | Itriglumide sodium CR 2945 NCGC00094063-01 NCGC00016158-01 Lopac-I-9778 More... |
Iupac Name: | sodium;(3R)-5-[2-(8-azaspiro[4.5]decane-8-carbonyl)-4,6-dimethylanilino]-3-naphthalen-1-yl-5-oxopentanoate |
InChI: | InChI=1S/C33H38N2O4.Na/c1-22-18-23(2)31(28(19-22)32(39)35-16-14-33(15-17-35)12-5-6-13-33)34-29(36)20-25(21-30(37)38)27-11-7-9-24-8-3-4-10-26(24)27;/h3-4,7-11,18-19,25H,5-6,12-17,20-21H2,1-2H3,(H,34,36)(H,37,38);/q;+1/p-1/t25-;/m1./s1 |
InChIKey: | POCBIGAWFDIUCL-VQIWEWKSSA-M |
Canonical Smiles: | CC1=CC(=C(C(=C1)C(=O)N2CCC3(CCCC3)CC2)NC(=O)CC(CC(=O)[O-])C4=CC=CC5=CC=CC=C54)C.[Na+] |
Isomeric Smiles: | CC1=CC(=C(C(=C1)C(=O)N2CCC3(CCCC3)CC2)NC(=O)C[C@H](CC(=O)[O-])C4=CC=CC5=CC=CC=C54)C.[Na+] |
Molecular Weight: | 548.6 |
Molecular Formula: | C33H37N2NaO4 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Itriglumide sodium
Molecular Weight: | 548.6 |
Molecular Formula: | C33H37N2NaO4 |
Hydrogen Bond Donor Count: | 1 |
Hydrogen Bond Acceptor Count: | 4 |
Rotatable Bond Count: | 7 |
Heavy Atom Count: | 40 |
Complexity: | 880 |
Synonyms
Itriglumide sodium
| Itriglumide sodium | Itriglumide sodium |
|---|---|
Itriglumide sodium |
CR 2945 |
NCGC00094063-01 |
NCGC00016158-01 |
Lopac-I-9778 |
DSSTox_CID_25775 |
DSSTox_RID_81117 |
DSSTox_GSID_45775 |
CHEMBL1335406 |
DTXSID8045775 |
Tox21_111240 |
EU-0100713 |
I 9778 |
Experimental Data
Itriglumide sodium
| 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 | -11.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
Itriglumide sodium
Statistics Data
Itriglumide sodium
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -11.000000000000000 | 1 | 1 |
Statistics Data Visualization
Itriglumide sodium
