Compound Summary
Compound Information
Fluspirilene
Compound Name: | Fluspirilene |
Compound CID: | 3396 |
Synonyms: | Fluspirilene Redeptin 1841-19-6 Imap Fluspirilen More... |
Iupac Name: | 8-[4,4-bis(4-fluorophenyl)butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one |
InChI: | InChI=1S/C29H31F2N3O/c30-24-12-8-22(9-13-24)27(23-10-14-25(31)15-11-23)7-4-18-33-19-16-29(17-20-33)28(35)32-21-34(29)26-5-2-1-3-6-26/h1-3,5-6,8-15,27H,4,7,16-21H2,(H,32,35) |
InChIKey: | QOYHHIBFXOOADH-UHFFFAOYSA-N |
Canonical Smiles: | C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F |
Isomeric Smiles: | C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F |
Molecular Weight: | 475.6 |
Molecular Formula: | C29H31F2N3O |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Fluspirilene
Molecular Weight: | 475.6 |
Molecular Formula: | C29H31F2N3O |
Hydrogen Bond Donor Count: | 1 |
Hydrogen Bond Acceptor Count: | 5 |
Rotatable Bond Count: | 7 |
Heavy Atom Count: | 35 |
Complexity: | 653 |
Synonyms
Fluspirilene
| Fluspirilene | Fluspirilene |
|---|---|
Fluspirilene |
Redeptin |
1841-19-6 |
Imap |
Fluspirilen |
Fluspirilenum INN-Latin |
Fluspirileno INN-Spanish |
McN-JR-6218 |
R 6218 |
Fluspiriline |
8-4,4-bis(4-fluorophenyl)butyl-1-phenyl-1,3,8-triazaspiro4.5decan-4-one |
UNII-C5QA4GLR9M |
R 6218;Redeptin |
C5QA4GLR9M |
1-Phenyl-4-oxo-8-(4,4-bis(4-fluorophenyl)butyl)-1,3,8-triazaspiro(4,5)decane |
CHEMBL46516 |
R-6218 |
NCGC00015424-04 |
NCGC00015424-11 |
Fluspirileno |
Fluspirilenum |
CAS-1841-19-6 |
1,3,8-Triazaspiro(4.5)decan-4-one, 8-(4,4-bis(4-fluorophenyl)butyl)-1-phenyl- |
1,3,8-Triazaspiro4.5decan-4-one, 8-4,4-bis(4-fluorophenyl)butyl-1-phenyl- |
DSSTox_CID_25152 |
DSSTox_RID_80706 |
DSSTox_GSID_45152 |
Fluspirilene USAN:INN:BAN |
SMR000058304 |
Imap (TN) |
Lopac-F-100 |
SR-01000075385 |
EINECS 217-418-6 |
Fluspirilene (USAN/INN) |
spiropiperidine analogue, 1 |
BRN 0633853 |
8-(4,4-bis(4-fluorophenyl)butyl)-1-phenyl-1,3,8-triazaspiro4.5decan-4-one |
8-(4,4-Bis(p-fluorophenyl)butyl)-1-phenyl-1,3,8-triazaspiro-(4.5)decan-4-one |
Prestwick0_000906 |
Prestwick1_000906 |
Prestwick2_000906 |
Prestwick3_000906 |
F-100 |
GTPL85 |
8-4,4-bis(4-fluorophenyl)butyl-4-phenyl-2,4,8-triazaspiro4.5decan-1-one |
cid_3396 |
Lopac0_000518 |
Oprea1_804941 |
SCHEMBL42082 |
BSPBio_000752 |
BSPBio_001343 |
5-26-04-00097 (Beilstein Handbook Reference) |
MLS000069357 |
MLS001333730 |
SPBio_002951 |
McN-JR 6218 |
BPBio1_000828 |
DTXSID7045152 |
BDBM26948 |
CHEBI:93369 |
TQP0727 |
HMS1570F14 |
HMS1791D05 |
HMS1989D05 |
HMS2089C15 |
HMS2097F14 |
HMS2233B20 |
HMS3261H17 |
HMS3372H20 |
HMS3402D05 |
HMS3714F14 |
ZINC537755 |
AOB33780 |
BCP09254 |
Fluspirilene (R 6218; Redeptin) |
HY-B1655 |
Tox21_110142 |
Tox21_500518 |
MFCD00055137 |
NSC772296 |
8-4,4-bis(p-Fluorophenyl)butyl-1-phenyl-1,3,8-triazino4.5decan-4-one |
AKOS015969747 |
Tox21_110142_1 |
CCG-204608 |
DB04842 |
LP00518 |
NSC-772296 |
SDCCGSBI-0050501.P002 |
1,3,8-Triazaspiro4.5decan-4-one, 8-4,4-bis(p-fluorophenyl)butyl-1-phenyl- |
NCGC00015424-01 |
NCGC00015424-02 |
NCGC00015424-03 |
NCGC00015424-05 |
NCGC00015424-06 |
NCGC00015424-07 |
NCGC00015424-08 |
NCGC00015424-09 |
NCGC00015424-15 |
NCGC00016595-01 |
NCGC00093913-01 |
NCGC00093913-02 |
NCGC00093913-03 |
NCGC00093913-04 |
NCGC00093913-05 |
NCGC00261203-01 |
AS-16749 |
AB00513956 |
CS-0013609 |
EU-0100518 |
FT-0668770 |
D02629 |
AB00513956-10 |
L001195 |
Q408300 |
J-011797 |
SR-01000075385-1 |
SR-01000075385-5 |
BRD-K77947974-001-04-9 |
ETHYL1-(TERT-BUTYL)-4,5-DIOXOPYRROLIDINE-3-CARBOXYLATE |
Fluspirilene, European Pharmacopoeia (EP) Reference Standard |
8-(4,4-Bis(p-fluorophenyl)butyl)-1-phenyl-1,3,8-triazaspiro(4,5)decan-4-one |
Experimental Data
Fluspirilene
| 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 | 46.64 | 45.19 | -3.114 | NS | MALES | 33008901 | Inactive | ||||
| Caenorhabditis elegans | 100 | umol/L | 15.34 | 16 | 4.302 | NS | N2 | 33008901 | Inactive | ||||
| Caenorhabditis elegans | 33 | umol/L | -44 | NS | N2 | 24134630 | Inactive | ||||||
| Drosophila melanogaster | 20 | umol/L | 46.24 | 50.33 | 8.863 | S | FEMALES | 33008901 | Active | ||||
| Caenorhabditis elegans | 10 | umol/L | 16.69 | 16.07 | -3.733 | NS | N2 | 33008901 | Inactive |
Experimental Data Visualization
Fluspirilene
Statistics Data
Fluspirilene
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 4.302 | 2 | 3 | |
| Drosophila melanogaster | 8.863 | 1 | 2 |
Statistics Data Visualization
Fluspirilene
