Compound Summary
MLS000028736
Compound Information
MLS000028736
Compound Name: | MLS000028736 |
Compound CID: | 6852409 |
Synonyms: | MLS000028736 SMR000058532 S(+)-Isoproterenol (+)-bitartrate (+)-ISOPROTERENOL (+)-BITARTRATE SALT Opera_ID_715 More... |
Iupac Name: | 2,3-dihydroxybutanedioic acid;4-[(1S)-1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol |
InChI: | InChI=1S/C11H17NO3.C4H6O6/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8;5-1(3(7)8)2(6)4(9)10/h3-5,7,11-15H,6H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t11-;/m1./s1 |
InChIKey: | LBOPECYONBDFEM-RFVHGSKJSA-N |
Canonical Smiles: | CC(C)NCC(C1=CC(=C(C=C1)O)O)O.C(C(C(=O)O)O)(C(=O)O)O |
Isomeric Smiles: | CC(C)NC[C@H](C1=CC(=C(C=C1)O)O)O.C(C(C(=O)O)O)(C(=O)O)O |
Molecular Weight: | 361.34 |
Molecular Formula: | C15H23NO9 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
MLS000028736
Molecular Weight: | 361.34 |
Molecular Formula: | C15H23NO9 |
Hydrogen Bond Donor Count: | 8 |
Hydrogen Bond Acceptor Count: | 10 |
Rotatable Bond Count: | 7 |
Heavy Atom Count: | 25 |
Complexity: | 321 |
Synonyms
MLS000028736
| MLS000028736 | MLS000028736 |
|---|---|
MLS000028736 |
SMR000058532 |
S(+)-Isoproterenol (+)-bitartrate |
(+)-ISOPROTERENOL (+)-BITARTRATE SALT |
Opera_ID_715 |
SR-01000075266 |
Lopac0_000640 |
Lopac0_000653 |
MLS001146890 |
S(+)-Isoproterenol-Bitartrate |
CHEMBL1257092 |
HMS2230J14 |
I 8005 |
SR-01000075266-1 |
SR-01000075266-2 |
Experimental Data
MLS000028736
| 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
MLS000028736
Statistics Data
MLS000028736
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 1.000000000000000 | 1 | 1 |
Statistics Data Visualization
MLS000028736
