Compound Summary
Compound Information
112989-01-2
Compound Name: | 112989-01-2 |
Compound CID: | 361655 |
Synonyms: | 112989-01-2 rac-2-Ethoxy-3-hexadecanamido-1-propylphosphocholine rac-3-Hexadecanamido-2-ethoxypropyl phosphocholine CP-49 NSC624873 More... |
Iupac Name: | [2-ethoxy-3-(hexadecanoylamino)propyl] 2-(trimethylazaniumyl)ethyl phosphate |
InChI: | InChI=1S/C26H55N2O6P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)27-23-25(32-7-2)24-34-35(30,31)33-22-21-28(3,4)5/h25H,6-24H2,1-5H3,(H-,27,29,30,31) |
InChIKey: | USUMXADKOISKIL-UHFFFAOYSA-N |
Canonical Smiles: | CCCCCCCCCCCCCCCC(=O)NCC(COP(=O)([O-])OCC[N+](C)(C)C)OCC |
Isomeric Smiles: | CCCCCCCCCCCCCCCC(=O)NCC(COP(=O)([O-])OCC[N+](C)(C)C)OCC |
Molecular Weight: | 522.7 |
Molecular Formula: | C26H55N2O6P |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
112989-01-2
Molecular Weight: | 522.7 |
Molecular Formula: | C26H55N2O6P |
Hydrogen Bond Donor Count: | 1 |
Hydrogen Bond Acceptor Count: | 6 |
Rotatable Bond Count: | 25 |
Heavy Atom Count: | 35 |
Complexity: | 548 |
Synonyms
112989-01-2
| 112989-01-2 | 112989-01-2 |
|---|---|
112989-01-2 |
rac-2-Ethoxy-3-hexadecanamido-1-propylphosphocholine |
rac-3-Hexadecanamido-2-ethoxypropyl phosphocholine |
CP-49 |
NSC624873 |
2-ethoxy-3-(hexadecanoylamino)propyl 2-(trimethylazaniumyl)ethyl phosphate |
rac-2-ethoxy-3-hexadecanamido-1-propyl phosphocholine |
3,5-Dioxa-9-aza-4-phosphapentacosan-1-aminium, 7-ethoxy-4-hydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, (1)- |
NSC 624873 |
ACMC-20cfp6 |
CHEMBL285629 |
SCHEMBL7631750 |
DTXSID70920963 |
CCG-204641 |
NSC-624873 |
NCGC00015413-02 |
NCGC00015413-03 |
NCGC00015413-04 |
NCGC00093938-01 |
NCGC00162184-01 |
3,5-Dioxa-9-aza-4-phosphapentacosan-1-aminium,7-ethoxy-4-hydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide |
EU-0100551 |
E 3645 |
2-2-ethoxy-3-(hexadecanoylamino)propoxy-hydroxy-phosphoryloxyethyl-trimethyl-ammonium |
2-Ethoxy-3-(1-hydroxyhexadecylidene)aminopropyl 2-(trimethylazaniumyl)ethyl phosphate |
209532-03-6 |
Experimental Data
112989-01-2
| 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 | -8 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
112989-01-2
Statistics Data
112989-01-2
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -8 | 1 | 1 |
Statistics Data Visualization
112989-01-2
