Compound Summary
Compound Information
(-)-3-Methoxynaltrexone hydrochloride
Compound Name: | (-)-3-Methoxynaltrexone hydrochloride |
Compound CID: | 11957640 |
Synonyms: | (-)-3-Methoxynaltrexone hydrochloride EU-0100835 CHEMBL2373666 NCGC00094166-01 SR-01000075527 More... |
Iupac Name: | (4aS,7aR)-3-(cyclopropylmethyl)-4a-hydroxy-9-methoxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;hydrochloride |
InChI: | InChI=1S/C21H25NO4.ClH/c1-25-15-5-4-13-10-16-21(24)7-6-14(23)19-20(21,17(13)18(15)26-19)8-9-22(16)11-12-2-3-12;/h4-5,12,16,19,24H,2-3,6-11H2,1H3;1H/t16?,19-,20?,21+;/m0./s1 |
InChIKey: | BWFKBOSEDNYSHX-LUGHZJQXSA-N |
Canonical Smiles: | COC1=C2C3=C(CC4C5(C3(CCN4CC6CC6)C(O2)C(=O)CC5)O)C=C1.Cl |
Isomeric Smiles: | COC1=C2C3=C(CC4[C@]5(C3(CCN4CC6CC6)[C@@H](O2)C(=O)CC5)O)C=C1.Cl |
Molecular Weight: | 391.9 |
Molecular Formula: | C21H26ClNO4 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
(-)-3-Methoxynaltrexone hydrochloride
Molecular Weight: | 391.9 |
Molecular Formula: | C21H26ClNO4 |
Hydrogen Bond Donor Count: | 2 |
Hydrogen Bond Acceptor Count: | 5 |
Rotatable Bond Count: | 3 |
Heavy Atom Count: | 27 |
Complexity: | 636 |
Synonyms
(-)-3-Methoxynaltrexone hydrochloride
| (-)-3-Methoxynaltrexone hydrochloride | (-)-3-Methoxynaltrexone hydrochloride |
|---|---|
(-)-3-Methoxynaltrexone hydrochloride |
EU-0100835 |
CHEMBL2373666 |
NCGC00094166-01 |
SR-01000075527 |
SR-01000075527-1 |
Experimental Data
(-)-3-Methoxynaltrexone hydrochloride
| 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 | -10 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
(-)-3-Methoxynaltrexone hydrochloride
Statistics Data
(-)-3-Methoxynaltrexone hydrochloride
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -10 | 1 | 1 |
Statistics Data Visualization
(-)-3-Methoxynaltrexone hydrochloride
