Compound Summary
Naltriben methanesulfonate
Compound Information
Naltriben methanesulfonate
Compound Name: | Naltriben methanesulfonate |
Compound CID: | 11957658 |
Synonyms: | Naltriben methanesulfonate CHEMBL2373602 HMS3262L04 Tox21_500931 CCG-222235 More... |
Iupac Name: | (2S,13R)-22-(cyclopropylmethyl)-11,14-dioxa-22-azaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaene-2,16-diol;methanesulfonic acid |
InChI: | InChI=1S/C26H25NO4.CH4O3S/c28-18-8-7-15-11-20-26(29)12-17-16-3-1-2-4-19(16)30-22(17)24-25(26,21(15)23(18)31-24)9-10-27(20)13-14-5-6-14;1-5(2,3)4/h1-4,7-8,14,20,24,28-29H,5-6,9-13H2;1H3,(H,2,3,4)/t20?,24-,25?,26+;/m0./s1 |
InChIKey: | XRRFZOCDAWPIBB-ONIXXLMQSA-N |
Canonical Smiles: | CS(=O)(=O)O.C1CC1CN2CCC34C5C6=C(CC3(C2CC7=C4C(=C(C=C7)O)O5)O)C8=CC=CC=C8O6 |
Isomeric Smiles: | CS(=O)(=O)O.C1CC1CN2CCC34[C@@H]5C6=C(C[C@]3(C2CC7=C4C(=C(C=C7)O)O5)O)C8=CC=CC=C8O6 |
Molecular Weight: | 511.6 |
Molecular Formula: | C27H29NO7S |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Naltriben methanesulfonate
Molecular Weight: | 511.6 |
Molecular Formula: | C27H29NO7S |
Hydrogen Bond Donor Count: | 3 |
Hydrogen Bond Acceptor Count: | 8 |
Rotatable Bond Count: | 2 |
Heavy Atom Count: | 36 |
Complexity: | 865 |
Synonyms
Naltriben methanesulfonate
| Naltriben methanesulfonate | Naltriben methanesulfonate |
|---|---|
Naltriben methanesulfonate |
CHEMBL2373602 |
HMS3262L04 |
Tox21_500931 |
CCG-222235 |
LP00931 |
NCGC00094240-01 |
NCGC00261616-01 |
EU-0100931 |
N-156 |
SR-01000075510 |
J-002596 |
SR-01000075510-1 |
Experimental Data
Naltriben methanesulfonate
| 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 | -2.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
Naltriben methanesulfonate
Statistics Data
Naltriben methanesulfonate
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -2.000000000000000 | 1 | 1 |
Statistics Data Visualization
Naltriben methanesulfonate
