Compound Summary
Compound Information
oxotremorine sesquifumarate
Compound Name: | oxotremorine sesquifumarate |
Compound CID: | 6436473 |
Synonyms: | oxotremorine sesquifumarate 17360-35-9 Oxotremorine sesquifumarate salt (E)-but-2-enedioic acid;1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidin-2-one Oxotremorine fumarate (2:3) More... |
Iupac Name: | (E)-but-2-enedioic acid;1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidin-2-one |
InChI: | InChI=1S/2C12H18N2O.3C4H4O4/c2*15-12-6-5-11-14(12)10-4-3-9-13-7-1-2-8-13;3*5-3(6)1-2-4(7)8/h2*1-2,5-11H2;3*1-2H,(H,5,6)(H,7,8)/b;;3*2-1+ |
InChIKey: | WLYYOFJEBGHKEC-VQYXCCSOSA-N |
Canonical Smiles: | C1CCN(C1)CC#CCN2CCCC2=O.C1CCN(C1)CC#CCN2CCCC2=O.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O |
Isomeric Smiles: | C1CN(CC1)CC#CCN2C(=O)CCC2.C1CN(CC1)CC#CCN2C(=O)CCC2.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Molecular Weight: | 760.8 |
Molecular Formula: | C36H48N4O14 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
oxotremorine sesquifumarate
Molecular Weight: | 760.8 |
Molecular Formula: | C36H48N4O14 |
Hydrogen Bond Donor Count: | 6 |
Hydrogen Bond Acceptor Count: | 16 |
Rotatable Bond Count: | 10 |
Heavy Atom Count: | 54 |
Complexity: | 412 |
Synonyms
oxotremorine sesquifumarate
| oxotremorine sesquifumarate | oxotremorine sesquifumarate |
|---|---|
oxotremorine sesquifumarate |
17360-35-9 |
Oxotremorine sesquifumarate salt |
(E)-but-2-enedioic acid;1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidin-2-one |
Oxotremorine fumarate (2:3) |
EINECS 241-388-3 |
1-(N-(1-Pyrrolidinyl)-2-butynyl)-2-pyrrolidinone sesquifumarate |
1-(4-1-Pyrrolidinyl2-butynyl)-2-pyrrolidinone |
CHEMBL1551988 |
oxotremorine ses-quifumarate salt |
DTXSID201017212 |
HMS3262H10 |
HMS3266J20 |
HMS3411P09 |
HMS3675P09 |
1-4-(1-Pyrrolidinyl)-2-butynyl-2-pyrrolidinone sesquifumarate |
Tox21_500914 |
2-Pyrrolidinone, 1-(4-(1-pyrrolidinyl)-2-butynyl)-, sesquifumarate |
Bis(1-(4-(pyrrolidin-1-yl)but-2-ynyl)pyrrolidin-2-one) trifumarate |
MFCD00013163 |
AKOS024458667 |
CCG-222218 |
LP00914 |
NCGC00094225-01 |
NCGC00261599-01 |
AS-73701 |
EU-0100914 |
O 9126 |
Oxotremorine sesquifumarate salt, >=98% (HPLC), solid |
1-(4-(Pyrrolidin-1-yl)but-2-yn-1-yl)pyrrolidin-2-one sesquifumarate |
2-Pyrrolidinone, 1-(4-(1-pyrrolidinyl)-2-butynyl)-, (E)-2-butenedioate (2:3) (9CI) |
2-Pyrrolidinone, 1-(4-(1-pyrrolidinyl)-2-butynyl)-, fumarate (2:3) (8CI) |
bis(1-4-(pyrrolidin-1-yl)but-2-yn-1-ylpyrrolidin-2-one); tris(but-2-enedioic acid) |
tris((2E)-but-2-enedioic acid); bis(1-4-(pyrrolidin-1-yl)but-2-yn-1-ylpyrrolidin-2-one) |
Experimental Data
oxotremorine sesquifumarate
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33 | umol/L | 6 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
oxotremorine sesquifumarate
Statistics Data
oxotremorine sesquifumarate
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 6 | 1 | 1 |
Statistics Data Visualization
oxotremorine sesquifumarate
