Compound Summary
Compound Information
Pregnenolone sulfate sodium
Compound Name: | Pregnenolone sulfate sodium |
Compound CID: | 23682212 |
Synonyms: | Pregnenolone sulfate sodium CHEMBL1597612 HMS3263A17 Tox21_500968 CCG-222272 More... |
Iupac Name: | sodium;[(3S,10R,13S,17S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] sulfate |
InChI: | InChI=1S/C21H32O5S.Na/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3;/h4,15-19H,5-12H2,1-3H3,(H,23,24,25);/q;+1/p-1/t15-,16?,17+,18?,19?,20-,21+;/m0./s1 |
InChIKey: | QQVJEIZJHDPTSH-SLWMDVAGSA-M |
Canonical Smiles: | CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OS(=O)(=O)[O-])C)C.[Na+] |
Isomeric Smiles: | CC(=O)[C@H]1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)[O-])C)C.[Na+] |
Molecular Weight: | 418.5 |
Molecular Formula: | C21H31NaO5S |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Pregnenolone sulfate sodium
Molecular Weight: | 418.5 |
Molecular Formula: | C21H31NaO5S |
Hydrogen Bond Donor Count: | 0 |
Hydrogen Bond Acceptor Count: | 5 |
Rotatable Bond Count: | 3 |
Heavy Atom Count: | 28 |
Complexity: | 772 |
Synonyms
Pregnenolone sulfate sodium
| Pregnenolone sulfate sodium | Pregnenolone sulfate sodium |
|---|---|
Pregnenolone sulfate sodium |
CHEMBL1597612 |
HMS3263A17 |
Tox21_500968 |
CCG-222272 |
LP00968 |
NCGC00094268-01 |
NCGC00261653-01 |
5-Pregnen-3beta-ol-20-one sulfate sodium |
EU-0100968 |
Experimental Data
Pregnenolone sulfate sodium
| 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 | 5 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
Pregnenolone sulfate sodium
Statistics Data
Pregnenolone sulfate sodium
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 5 | 1 | 1 |
Statistics Data Visualization
Pregnenolone sulfate sodium
