Compound Summary
112648-68-7
Compound Information
112648-68-7
Compound Name: | 112648-68-7 |
Compound CID: | 104794 |
Synonyms: | 112648-68-7 U-73122 U73122 U 73122 1-(6-((3-Methoxyestra-1,3,5(10)-trien-17-yl)amino)hexyl)-1H-pyrrole-2,5-dione More... |
Iupac Name: | 1-[6-[[(8R,9S,13S,14S,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]amino]hexyl]pyrrole-2,5-dione |
InChI: | InChI=1S/C29H40N2O3/c1-29-16-15-23-22-10-8-21(34-2)19-20(22)7-9-24(23)25(29)11-12-26(29)30-17-5-3-4-6-18-31-27(32)13-14-28(31)33/h8,10,13-14,19,23-26,30H,3-7,9,11-12,15-18H2,1-2H3/t23-,24-,25+,26+,29+/m1/s1 |
InChIKey: | LUFAORPFSVMJIW-ZRJUGLEFSA-N |
Canonical Smiles: | CC12CCC3C(C1CCC2NCCCCCCN4C(=O)C=CC4=O)CCC5=C3C=CC(=C5)OC |
Isomeric Smiles: | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2NCCCCCCN4C(=O)C=CC4=O)CCC5=C3C=CC(=C5)OC |
Molecular Weight: | 464.6 |
Molecular Formula: | C29H40N2O3 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
112648-68-7
Molecular Weight: | 464.6 |
Molecular Formula: | C29H40N2O3 |
Hydrogen Bond Donor Count: | 1 |
Hydrogen Bond Acceptor Count: | 4 |
Rotatable Bond Count: | 9 |
Heavy Atom Count: | 34 |
Complexity: | 763 |
Synonyms
112648-68-7
| 112648-68-7 | 112648-68-7 |
|---|---|
112648-68-7 |
U-73122 |
U73122 |
U 73122 |
1-(6-((3-Methoxyestra-1,3,5(10)-trien-17-yl)amino)hexyl)-1H-pyrrole-2,5-dione |
U-73,122 |
U-73122 hydrate |
CHEMBL1256678 |
CHEBI:90690 |
C29H40N2O3 |
1-6-(8R,9S,13S,14S,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopentaaphenanthren-17-ylaminohexylpyrrole-2,5-dione |
1-(6-(((8R,9S,13S,14S,17S)-3-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopentaaphenanthren-17-yl)amino)hexyl)-1H-pyrrole-2,5-dione |
1-6-((17beta)-3-Methoxyestra-1,3,510-trien-17-yl)aminohexyl-1H-pyrrole-2,5-dione |
1-6-(17beta)-3-Methoxyestra-1,3,5(10)-trien-17-ylaminohexyl-1H-pyrrole-2,5-dione |
MolMap_000051 |
1-(6-((17-3-methoxyestra-1,3,5(10)-trien-17-yl)amino)hexyl)-1H-pyrrole-2,5-dione |
1H-Pyrrole-2,5-dione, 1-(6-(((17beta)-3-methoxyestra-1,3,5(10)-trien-17-yl)amino)hexyl)- |
BSPBio_001222 |
SCHEMBL676619 |
GTPL5283 |
DTXSID3036739 |
EX-A677 |
Bio1_000364 |
Bio1_000853 |
Bio1_001342 |
HMS3403N03 |
HMS3649C14 |
ZINC3778899 |
2777AH |
BDBM50446424 |
MFCD00893825 |
MFCD12910450 |
s8011 |
AKOS024456502 |
NCGC00025091-03 |
NCGC00179254-01 |
AC-32913 |
AS-73949 |
HY-13419 |
SR-01000597394 |
SR-01000946598 |
SR-01000597394-1 |
SR-01000946598-1 |
Q27089044 |
U-73122 - CAS 112648-68-7 |
1-(6-{(17beta)-3-methoxyestra-1(10),2,4-trien-17-ylamino}hexyl)-1H-pyrrole-2,5-dione |
1-6-((17beta)-3-Methoxyestra-1,3,510-trien-17-yl)aminohexylpyrrole-2,5-dione |
1-6-(17?)-3-Methoxyestra-1,3,5(10)-trien-17-ylaminohexyl-1H-pyrrole-2,5-dione |
1-(6-{(1S,10R,11S,14S,15S)-5-methoxy-15-methyltetracyclo8.7.0.0^{2,7}.0^{11,15}heptadeca-2,4,6-trien-14-ylamino}hexyl)-2,5-dihydro-1H-pyrrole-2,5-dione |
1-(6-{(1S,3aS,3bR,9bS,11aS)-7-methoxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopentaaphenanthren-1-ylamino}hexyl)-2,5-dihydro-1H-pyrrole-2,5-dione |
1-6-((8R,9S,13S,14S,17S)-3-Methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopentaaphenanthren-17-ylamino)-hexyl-pyrrole-2,5-dione |
Experimental Data
112648-68-7
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33.000000000000000 | umol/L | -1.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
112648-68-7
Statistics Data
112648-68-7
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -1.000000000000000 | 1 | 1 |
Statistics Data Visualization
112648-68-7
