Compound Summary
Xamoterol hemifumarate
Compound Information
Xamoterol hemifumarate
Compound Name: | Xamoterol hemifumarate |
Compound CID: | 6440459 |
Synonyms: | Xamoterol hemifumarate XAMOTEROL FUMARATE 73210-73-8 Corwin Xamoterol fumarate USAN More... |
Iupac Name: | (E)-but-2-enedioic acid;N-[2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]morpholine-4-carboxamide |
InChI: | InChI=1S/2C16H25N3O5.C4H4O4/c2*20-13-1-3-15(4-2-13)24-12-14(21)11-17-5-6-18-16(22)19-7-9-23-10-8-19;5-3(6)1-2-4(7)8/h2*1-4,14,17,20-21H,5-12H2,(H,18,22);1-2H,(H,5,6)(H,7,8)/b;;2-1+ |
InChIKey: | QEDVGROSOZBGOZ-WXXKFALUSA-N |
Canonical Smiles: | C1COCCN1C(=O)NCCNCC(COC2=CC=C(C=C2)O)O.C1COCCN1C(=O)NCCNCC(COC2=CC=C(C=C2)O)O.C(=CC(=O)O)C(=O)O |
Isomeric Smiles: | C1COCCN1C(=O)NCCNCC(COC2=CC=C(C=C2)O)O.C1COCCN1C(=O)NCCNCC(COC2=CC=C(C=C2)O)O.C(=C/C(=O)O)\C(=O)O |
Molecular Weight: | 794.8 |
Molecular Formula: | C36H54N6O14 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Xamoterol hemifumarate
Molecular Weight: | 794.8 |
Molecular Formula: | C36H54N6O14 |
Hydrogen Bond Donor Count: | 10 |
Hydrogen Bond Acceptor Count: | 16 |
Rotatable Bond Count: | 18 |
Heavy Atom Count: | 56 |
Complexity: | 477 |
Synonyms
Xamoterol hemifumarate
| Xamoterol hemifumarate | Xamoterol hemifumarate |
|---|---|
Xamoterol hemifumarate |
XAMOTEROL FUMARATE |
73210-73-8 |
Corwin |
Xamoterol fumarate USAN |
ICI 118,587 |
Xamoterol fumarate (USAN) |
90730-93-1 |
EINECS 277-319-9 |
ICI 1185876 |
SCHEMBL1651584 |
CHEMBL1329567 |
HMS1570J08 |
HMS2097J08 |
HMS3267G13 |
HMS3411L04 |
HMS3675L04 |
HMS3714J08 |
AKOS024458711 |
CCG-220923 |
NCGC00094498-01 |
(C16H25N3O5)2.C4H4O4 |
K247 |
EU-0101259 |
D06329 |
X 3253 |
SR-01000872698 |
SR-01000872698-1 |
Q27284698 |
1-(4-Hydroxyphenoxy)-3-2-(4-morpholinocarboxamido)ethylamino-2-propanol hemifumarate |
(+-)-N-(2-((2-Hydroxy-3-(p-hydroxyphenoxy)propyl)amino)ethyl)-4-morpholinecarboxamide fumarate (2:1) (salt) |
4-Morphinolinecarboxamide, N-(2-((2-hydroxy-3-(4-hydroxyphenoxy)propyl)amino)ethyl)-, (+-)-, (E)-2-butenedioate (2:1) (salt) |
Bis(N-(2-((2-hydroxy-3-(4-hydroxyphenoxy)propyl)amino)ethyl)morpholine-4-carboxamide) fumarate |
ICI 118587; (+/-)-N-2-Hydroxy-3-(4-hydroxy)propylaminoethyl-4-morpholinecarboxamide hemifumarate |
N-(2-((2-Hydroxy-3-(4-hydroxyphenoxy)propyl)amino)ethyl)morpholine-4-carboxamide hemifumarate |
Experimental Data
Xamoterol hemifumarate
| 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 | 12.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
Xamoterol hemifumarate
Statistics Data
Xamoterol hemifumarate
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 12.000000000000000 | 1 | 1 |
Statistics Data Visualization
Xamoterol hemifumarate
