Compound Summary
Compound Information
64-47-1
Compound Name: | 64-47-1 |
Compound CID: | 6419928 |
Synonyms: | 64-47-1 Physostigmine hemisulfate PHYSOSTIGMINE SULFATE Eserine hemisulfate salt Eserine sulfate, physostigmine sulfate More... |
Iupac Name: | [(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-methylcarbamate;sulfuric acid |
InChI: | InChI=1S/2C15H21N3O2.H2O4S/c2*1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2;1-5(2,3)4/h2*5-6,9,13H,7-8H2,1-4H3,(H,16,19);(H2,1,2,3,4)/t2*13-,15+;/m11./s1 |
InChIKey: | YYBNDIVPHIWTPK-KYJQVDHRSA-N |
Canonical Smiles: | CC12CCN(C1N(C3=C2C=C(C=C3)OC(=O)NC)C)C.CC12CCN(C1N(C3=C2C=C(C=C3)OC(=O)NC)C)C.OS(=O)(=O)O |
Isomeric Smiles: | C[C@@]12CCN([C@@H]1N(C3=C2C=C(C=C3)OC(=O)NC)C)C.C[C@@]12CCN([C@@H]1N(C3=C2C=C(C=C3)OC(=O)NC)C)C.OS(=O)(=O)O |
Molecular Weight: | 648.8 |
Molecular Formula: | C30H44N6O8S |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
64-47-1
Molecular Weight: | 648.8 |
Molecular Formula: | C30H44N6O8S |
Hydrogen Bond Donor Count: | 4 |
Hydrogen Bond Acceptor Count: | 12 |
Rotatable Bond Count: | 4 |
Heavy Atom Count: | 45 |
Complexity: | 484 |
Synonyms
64-47-1
| 64-47-1 | 64-47-1 |
|---|---|
64-47-1 |
Physostigmine hemisulfate |
PHYSOSTIGMINE SULFATE |
Eserine hemisulfate salt |
Eserine sulfate, physostigmine sulfate |
UNII-G63V2J2N71 |
Physostigmine sulfate (USP) |
G63V2J2N71 |
ESERINE HEMISULFATE |
Prestwick_206 |
Eserine sulfate (TN) |
Pyrrolo2,3-bindol-5-ol, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-, 5-(N-methylcarbamate), (3aS,8aR)-, sulfate (2:1) |
SCHEMBL63288 |
Physostigmine hemisulfate salt |
CHEMBL2105891 |
DTXSID10889323 |
HMS1569B14 |
HMS2096B14 |
HMS3713B14 |
2C15H21N3O2.H2O4S |
2402AH |
MFCD06795853 |
AKOS030254937 |
CCG-220566 |
D03826 |
SR-01000872637 |
SR-01000872637-1 |
Q27278820 |
Experimental Data
64-47-1
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Drosophila melanogaster | 200 | umol/L | 43.17 | 44.93 | 4.08 | NS | MALES | 33008901 | Inactive | ||||
| Drosophila melanogaster | 20 | umol/L | 44.63 | 45.63 | 2.236 | NS | FEMALES | 33008901 | Inactive | ||||
| Caenorhabditis elegans | 100 | umol/L | 17.25 | 17.43 | 1.02 | NS | N2 | 33008901 | Inactive | ||||
| Caenorhabditis elegans | 10 | umol/L | 16.6 | 17.17 | 3.398 | NS | N2 | 33008901 | Inactive |
Experimental Data Visualization
64-47-1
Statistics Data
64-47-1
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 3.398 | 1 | 2 | |
| Drosophila melanogaster | 4.08 | 1 | 2 |
Statistics Data Visualization
64-47-1
