Compound Summary
Bromoacetyl alprenolol menthane
Compound Information
Bromoacetyl alprenolol menthane
Compound Name: | Bromoacetyl alprenolol menthane |
Compound CID: | 11957482 |
Synonyms: | Bromoacetyl alprenolol menthane Lopac0_000215 CHEMBL1398096 HMS3260L11 Tox21_500215 More... |
Iupac Name: | 2-bromo-N-[2-[(1S,3R)-3-[[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]amino]-3-methylcyclohexyl]propan-2-yl]acetamide |
InChI: | InChI=1S/C24H37BrN2O3/c1-5-9-18-10-6-7-12-21(18)30-17-20(28)16-26-24(4)13-8-11-19(14-24)23(2,3)27-22(29)15-25/h5-7,10,12,19-20,26,28H,1,8-9,11,13-17H2,2-4H3,(H,27,29)/t19-,20?,24+/m0/s1 |
InChIKey: | RTYBGDQNUBLFSW-XIJGOZNCSA-N |
Canonical Smiles: | CC1(CCCC(C1)C(C)(C)NC(=O)CBr)NCC(COC2=CC=CC=C2CC=C)O |
Isomeric Smiles: | C[C@]1(CCC[C@@H](C1)C(C)(C)NC(=O)CBr)NCC(COC2=CC=CC=C2CC=C)O |
Molecular Weight: | 481.5 |
Molecular Formula: | C24H37BrN2O3 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Bromoacetyl alprenolol menthane
Molecular Weight: | 481.5 |
Molecular Formula: | C24H37BrN2O3 |
Hydrogen Bond Donor Count: | 3 |
Hydrogen Bond Acceptor Count: | 4 |
Rotatable Bond Count: | 11 |
Heavy Atom Count: | 30 |
Complexity: | 557 |
Synonyms
Bromoacetyl alprenolol menthane
| Bromoacetyl alprenolol menthane | Bromoacetyl alprenolol menthane |
|---|---|
Bromoacetyl alprenolol menthane |
Lopac0_000215 |
CHEMBL1398096 |
HMS3260L11 |
Tox21_500215 |
CCG-204310 |
LP00215 |
SDCCGSBI-0050203.P002 |
NCGC00162095-02 |
NCGC00260900-01 |
EU-0100215 |
SR-01000075728 |
SR-01000075728-1 |
Experimental Data
Bromoacetyl alprenolol menthane
| 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 | -21.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
Bromoacetyl alprenolol menthane
Statistics Data
Bromoacetyl alprenolol menthane
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -21.000000000000000 | 1 | 1 |
Statistics Data Visualization
Bromoacetyl alprenolol menthane
