Compound Summary
Compound Information
(+)-Nicotine (+)-di-p-toluoyl tartrate
Compound Name: | (+)-Nicotine (+)-di-p-toluoyl tartrate |
Compound CID: | 11957647 |
Synonyms: | (+)-Nicotine (+)-di-p-toluoyl tartrate Lopac0_000850 NCGC00094178-01 NCGC00094178-02 NCGC00094178-03 More... |
Iupac Name: | (2R,3S)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid;3-[(2R)-1-methylpyrrolidin-2-yl]pyridine |
InChI: | InChI=1S/C20H18O8.C10H14N2/c1-11-3-7-13(8-4-11)19(25)27-15(17(21)22)16(18(23)24)28-20(26)14-9-5-12(2)6-10-14;1-12-7-3-5-10(12)9-4-2-6-11-8-9/h3-10,15-16H,1-2H3,(H,21,22)(H,23,24);2,4,6,8,10H,3,5,7H2,1H3/t15-,16+;10-/m.1/s1 |
InChIKey: | GEGPCGHEPLKDLY-DRHSTVBOSA-N |
Canonical Smiles: | CC1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=C(C=C2)C)C(=O)O.CN1CCCC1C2=CN=CC=C2 |
Isomeric Smiles: | CC1=CC=C(C=C1)C(=O)O[C@H]([C@@H](C(=O)O)OC(=O)C2=CC=C(C=C2)C)C(=O)O.CN1CCC[C@@H]1C2=CN=CC=C2 |
Molecular Weight: | 548.6 |
Molecular Formula: | C30H32N2O8 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
(+)-Nicotine (+)-di-p-toluoyl tartrate
Molecular Weight: | 548.6 |
Molecular Formula: | C30H32N2O8 |
Hydrogen Bond Donor Count: | 2 |
Hydrogen Bond Acceptor Count: | 10 |
Rotatable Bond Count: | 10 |
Heavy Atom Count: | 40 |
Complexity: | 680 |
Synonyms
(+)-Nicotine (+)-di-p-toluoyl tartrate
| (+)-Nicotine (+)-di-p-toluoyl tartrate | (+)-Nicotine (+)-di-p-toluoyl tartrate |
|---|---|
(+)-Nicotine (+)-di-p-toluoyl tartrate |
Lopac0_000850 |
NCGC00094178-01 |
NCGC00094178-02 |
NCGC00094178-03 |
C106 |
Experimental Data
(+)-Nicotine (+)-di-p-toluoyl tartrate
| 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 | 1 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
(+)-Nicotine (+)-di-p-toluoyl tartrate
Statistics Data
(+)-Nicotine (+)-di-p-toluoyl tartrate
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 1 | 1 | 1 |
Statistics Data Visualization
(+)-Nicotine (+)-di-p-toluoyl tartrate
