Compound Summary
Compound Information
GR 89696 fumarate
Compound Name: | GR 89696 fumarate |
Compound CID: | 6442840 |
Synonyms: | GR 89696 fumarate 126766-32-3 GR-89696 fumarate GR 89696 fumarate salt GR 89696 More... |
Iupac Name: | (E)-but-2-enedioic acid;methyl 4-[2-(3,4-dichlorophenyl)acetyl]-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate |
InChI: | InChI=1S/C19H25Cl2N3O3.C4H4O4/c1-27-19(26)23-8-9-24(15(13-23)12-22-6-2-3-7-22)18(25)11-14-4-5-16(20)17(21)10-14;5-3(6)1-2-4(7)8/h4-5,10,15H,2-3,6-9,11-13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+ |
InChIKey: | ABTNETSDXZBJTE-WLHGVMLRSA-N |
Canonical Smiles: | COC(=O)N1CCN(C(C1)CN2CCCC2)C(=O)CC3=CC(=C(C=C3)Cl)Cl.C(=CC(=O)O)C(=O)O |
Isomeric Smiles: | COC(=O)N1CCN(C(C1)CN2CCCC2)C(=O)CC3=CC(=C(C=C3)Cl)Cl.C(=C/C(=O)O)\C(=O)O |
Molecular Weight: | 530.4 |
Molecular Formula: | C23H29Cl2N3O7 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
GR 89696 fumarate
Molecular Weight: | 530.4 |
Molecular Formula: | C23H29Cl2N3O7 |
Hydrogen Bond Donor Count: | 2 |
Hydrogen Bond Acceptor Count: | 8 |
Rotatable Bond Count: | 7 |
Heavy Atom Count: | 35 |
Complexity: | 649 |
Synonyms
GR 89696 fumarate
| GR 89696 fumarate | GR 89696 fumarate |
|---|---|
GR 89696 fumarate |
126766-32-3 |
GR-89696 fumarate |
GR 89696 fumarate salt |
GR 89696 |
GR 85571 |
4-(3,4-DICHLOROPHENYLACETYL)-3-(1-PYRROLIDINYLMETHYL)-1-PIPERAZINECARBOXYLIC ACID METHYL ESTER FUMARATE |
4-(3,4-Dichlorophenyl)acetyl-3-(1-pyrrolidinylmethyl)-1-piperazinecarboxylic acid methyl ester fumarate |
gr89696 |
1-Piperazinecarboxylic acid, 4-2-(3,4-dichlorophenyl)acetyl-3-(1-pyrrolidinylmethyl)-, methyl ester, (2E)-2-butenedioate (1:1) |
SMR000466287 |
SR-01000075500 |
GR 103545 |
1-((3,4-Dichlorophenyl)acetyl)-4-acetyl-2-(1-pyrrolidinylmethyl)piperazine |
Methyl 4-((3,4-dichlorophenyl)acetyl)-3-(1-pyrrolidinylmethyl)-1-piperazinecarboxylate fumarate |
MLS000758305 |
MLS001424140 |
SCHEMBL1282478 |
SCHEMBL1282479 |
CHEMBL1256865 |
GR 89696 fumarate salt, solid |
DTXSID201017105 |
HMS2051L20 |
HMS3261D06 |
HMS3267N18 |
BFA76632 |
Tox21_500572 |
MFCD00274044 |
AKOS024456628 |
4-(3,4-Dichlorophenyl)acetyl-3- |
CCG-101060 |
CCG-221876 |
LP00572 |
NC00310 |
NCGC00093956-01 |
NCGC00261257-01 |
1-Piperazinecarboxylic acid, 4-((3,4-dichlorophenyl)acetyl)-3-(1-pyrrolidinylmethyl)-, methyl ester, (E)-2-butenedioate (1:1) |
4-(3,4-Dichlorophenyl)acetyl-3-(1-pyrrolidinylmethyl)-1-piperazinecarboxylic acid methyl ester fumarate salt |
EU-0100572 |
G-133 |
J-005434 |
SR-01000075500-1 |
SR-01000075500-3 |
(1-pyrrolidinylmethyl)-1-piperazinecarboxylic acid methyl ester fumarate |
(E)-but-2-enedioic acid;methyl 4-2-(3,4-dichlorophenyl)acetyl-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate |
methyl 4-(2-(3,4-dichlorophenyl)acetyl)-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate fumarate |
Methyl 4-(3,4-dichlorophenyl)acetyl-3-(1-pyrrolidinylmethyl)-1-piperazinecarboxylate (2E)-2-butenedioate (1:1) |
Experimental Data
GR 89696 fumarate
| 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 | -4 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
GR 89696 fumarate
Statistics Data
GR 89696 fumarate
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -4 | 1 | 1 |
Statistics Data Visualization
GR 89696 fumarate
