Compound Summary
Compound Information
Naloxonazine dihydrochloride
Compound Name: | Naloxonazine dihydrochloride |
Compound CID: | 11957656 |
Synonyms: | Naloxonazine dihydrochloride (4aS,7E,7aS,12bS)-7-(E)-(4aS,7aS,12bS)-4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro3,2-eisoquinolin-7-ylidenehydrazinylidene-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro3,2-eisoquinoline-4a,9-diol;dihydrochloride 880759-65-9 EU-0100902 CHEMBL2374027 More... |
Iupac Name: | (4aS,7E,7aS,12bS)-7-[(E)-[(4aS,7aS,12bS)-4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene]hydrazinylidene]-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol;dihydrochloride |
InChI: | InChI=1S/C38H42N4O6.2ClH/c1-3-15-41-17-13-35-29-21-5-7-25(43)31(29)47-33(35)23(9-11-37(35,45)27(41)19-21)39-40-24-10-12-38(46)28-20-22-6-8-26(44)32-30(22)36(38,34(24)48-32)14-18-42(28)16-4-2;;/h3-8,27-28,33-34,43-46H,1-2,9-20H2;2*1H/b39-23+,40-24+;;/t27?,28?,33-,34-,35+,36+,37-,38-;;/m1../s1 |
InChIKey: | VIAIHLLKDJKEKM-HOQHGZPCSA-N |
Canonical Smiles: | C=CCN1CCC23C4C(=NN=C5CCC6(C7CC8=C9C6(C5OC9=C(C=C8)O)CCN7CC=C)O)CCC2(C1CC1=C3C(=C(C=C1)O)O4)O.Cl.Cl |
Isomeric Smiles: | C=CCN1C2[C@]3([C@]4(C5=C(C2)C=CC(=C5O[C@@H]4/C(=N/N=C\6/[C@H]7OC8=C(C=CC9=C8[C@]72[C@](C(C9)N(CC2)CC=C)(CC6)O)O)/CC3)O)CC1)O.Cl.Cl |
Molecular Weight: | 723.7 |
Molecular Formula: | C38H44Cl2N4O6 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Naloxonazine dihydrochloride
Molecular Weight: | 723.7 |
Molecular Formula: | C38H44Cl2N4O6 |
Hydrogen Bond Donor Count: | 6 |
Hydrogen Bond Acceptor Count: | 10 |
Rotatable Bond Count: | 5 |
Heavy Atom Count: | 50 |
Complexity: | 1350 |
Synonyms
Naloxonazine dihydrochloride
| Naloxonazine dihydrochloride | Naloxonazine dihydrochloride |
|---|---|
Naloxonazine dihydrochloride |
(4aS,7E,7aS,12bS)-7-(E)-(4aS,7aS,12bS)-4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro3,2-eisoquinolin-7-ylidenehydrazinylidene-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro3,2-eisoquinoline-4a,9-diol;dihydrochloride |
880759-65-9 |
EU-0100902 |
CHEMBL2374027 |
AOB5329 |
NCGC00094217-01 |
N-176 |
SR-01000076040 |
SR-01000076040-1 |
Bis(5-alpha-4,5-epoxy-3,14,-dihydroxy-17-2-propenylmorphinan-6-ylidene)hydrazone |
Experimental Data
Naloxonazine dihydrochloride
| 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 | -12 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
Naloxonazine dihydrochloride
Statistics Data
Naloxonazine dihydrochloride
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -12 | 1 | 1 |
Statistics Data Visualization
Naloxonazine dihydrochloride
