Compound Summary
138908-40-4
Compound Information
138908-40-4
Compound Name: | 138908-40-4 |
Compound CID: | 5312115 |
Synonyms: | 138908-40-4 CL 316,243 CL-316243 CL-316243 sodium UNII-CF9MRO9QWW More... |
Iupac Name: | disodium;5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate |
InChI: | InChI=1S/C20H20ClNO7.2Na/c1-11(22-10-15(23)13-3-2-4-14(21)9-13)7-12-5-6-16-17(8-12)29-20(28-16,18(24)25)19(26)27;;/h2-6,8-9,11,15,22-23H,7,10H2,1H3,(H,24,25)(H,26,27);;/q;2*+1/p-2/t11-,15+;;/m1../s1 |
InChIKey: | FUZBPOHHSBDTJQ-CFOQQKEYSA-L |
Canonical Smiles: | CC(CC1=CC2=C(C=C1)OC(O2)(C(=O)[O-])C(=O)[O-])NCC(C3=CC(=CC=C3)Cl)O.[Na+].[Na+] |
Isomeric Smiles: | C[C@H](CC1=CC2=C(C=C1)OC(O2)(C(=O)[O-])C(=O)[O-])NC[C@@H](C3=CC(=CC=C3)Cl)O.[Na+].[Na+] |
Molecular Weight: | 465.8 |
Molecular Formula: | C20H18ClNNa2O7 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
138908-40-4
Molecular Weight: | 465.8 |
Molecular Formula: | C20H18ClNNa2O7 |
Hydrogen Bond Donor Count: | 2 |
Hydrogen Bond Acceptor Count: | 8 |
Rotatable Bond Count: | 6 |
Heavy Atom Count: | 31 |
Complexity: | 578 |
Synonyms
138908-40-4
| 138908-40-4 | 138908-40-4 |
|---|---|
138908-40-4 |
CL 316,243 |
CL-316243 |
CL-316243 sodium |
UNII-CF9MRO9QWW |
CL316243 |
CF9MRO9QWW |
CL-316,243 |
138908-40-4 (sodium salt) |
BTA-243 |
CL 316243 |
Disodium (R,R)-5-(2-((2-(3-chlorophenyl)-2-hydroxyethyl)-amino)propyl)-1,3-benzodioxole-2,3-dicarboxylate |
CL316,243 |
CHEMBL32590 |
151126-84-0 |
Disodium 5-(2R)-2-(2R)-2-(3-Chlorophenyl)-2-hydroxyethylaminopropyl-1,3-benzodioxole-2,2-dicarboxylate |
Sodium 5-((R)-2-(((R)-2-(3-chlorophenyl)-2-hydroxyethyl)amino)propyl)benzod1,3dioxole-2,2-dicarboxylate |
disodium 5-(2R)-2-{(2R)-2-(3-chlorophenyl)-2-hydroxyethylamino}propyl-1,3-benzodioxole-2,2-dicarboxylate |
CL316243DisodiumSalt |
CL 316243 disodium |
SCHEMBL2016430 |
DTXSID6041004 |
HMS3260L12 |
Tox21_500295 |
AKOS024456637 |
LP00295 |
NCGC00093745-01 |
NCGC00260980-01 |
AS-16747 |
EU-0100295 |
C 5976 |
102718-EP2272841A1 |
102718-EP2301936A1 |
Q27275433 |
1,3-Benzodioxole-2,2-dicanboxylic acid, 5-(2-((2-(3-chlorophenyl)-2-hydroxyethyl)amino)propyl)-, disodium salt, (R-(R*,R*))- |
5-(2R)-2-((2R)-2-(3-CHLOROPHENYL)-2-HYDROXYETHYLAMINO)PROPYL-1,3-BENZODIOXOLE-2,2-DICARBOXYLATE DISODIUM |
5-(2R)-2-(2R)-2-(3-Chlorophenyl)-2-hydroxyethylaminopropyl-1,3-benzodioxole-2,2-dicarboxylic acid disodium salt |
disodium;5-(2R)-2-(2R)-2-(3-chlorophenyl)-2-hydroxyethylaminopropyl-1,3-benzodioxole-2,2-dicarboxylate |
sodium 5-((R)-2-((R)-2-(3-chlorophenyl)-2-hydroxyethylamino)propyl)benzod1,3dioxole-2,2-dicarboxylate |
Experimental Data
138908-40-4
| 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 | 6.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
138908-40-4
Statistics Data
138908-40-4
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 6.000000000000000 | 1 | 1 |
Statistics Data Visualization
138908-40-4
