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Details

Stereochemistry ACHIRAL
Molecular Formula C18H25F3N4O.C4H4O4
Molecular Weight 486.4847
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ORG-13011 FUMARATE

SMILES

OC(=O)\C=C\C(O)=O.FC(F)(F)C1=CC(=NC=C1)N2CCN(CCCCN3CCCC3=O)CC2

InChI

InChIKey=KILJTUTVUORPFQ-WLHGVMLRSA-N
InChI=1S/C18H25F3N4O.C4H4O4/c19-18(20,21)15-5-6-22-16(14-15)24-12-10-23(11-13-24)7-1-2-8-25-9-3-4-17(25)26;5-3(6)1-2-4(7)8/h5-6,14H,1-4,7-13H2;1-2H,(H,5,6)(H,7,8)/b;2-1+

HIDE SMILES / InChI

Molecular Formula C4H4O4
Molecular Weight 116.0722
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Molecular Formula C18H25F3N4O
Molecular Weight 370.4125
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Strychnine seizure potentiation by azaspirodecanedione anxiolytics in rats.
1988 Oct 18
Effects of 5-HT1A agonists and 5-HT2 antagonists on haloperidol-induced dyskinesias in squirrel monkeys: no evidence for reciprocal 5-HT-dopamine interaction.
1989
Involvement of 5-hydroxytryptamine(1A) receptors in nicotine-induced tail tremor in rats.
2000 Nov 10
The clinical pharmacology of depressive states.
2002 Mar
Rigid analogues of buspirone and gepirone, 5-HT1A receptors partial agonists.
2002 Nov
5-HT1A receptor-mediated regulation of mitogen-activated protein kinase phosphorylation in rat brain.
2002 Oct 4
Is there a role for 5-HT1A agonists in the treatment of depression?
2003 Feb 1
Gepirone extended-release: new evidence for efficacy in the treatment of major depressive disorder.
2003 Mar
Human cytochromes mediating gepirone biotransformation at low substrate concentrations.
2003 Mar
Pharmacokinetic evaluation of gepirone immediate-release capsules and gepirone extended-release tablets in healthy volunteers.
2003 Sep
Gepirone extended-release treatment of anxious depression: evidence from a retrospective subgroup analysis in patients with major depressive disorder.
2004 Aug
[Review of antidepressants from the TCAs to the third generation drugs].
2004 Dec
Metabolism of the newest antidepressants: comparisons with related predecessors.
2004 Feb
Cellular consequences of stress and depression.
2004 Jun
Use of physicochemical calculation of pKa and CLogP to predict phospholipidosis-inducing potential: a case study with structurally related piperazines.
2004 Mar
Sustained efficacy of gepirone-IR in major depressive disorder: a double-blind placebo substitution trial.
2004 May-Jun
Novel, flexible, and conformationally defined analogs of gepirone: synthesis and 5-HT1A, 5-HT2A, and D2 receptor activity.
2005 Feb 15
The 5-HT1A receptor and the stimulus effects of LSD in the rat.
2005 Oct
Acute and constitutive increases in central serotonin levels reduce social play behaviour in peri-adolescent rats.
2007 Dec
Assessing the neuronal serotonergic target-based antidepressant stratagem: impact of in vivo interaction studies and knockout models.
2008 Sep
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 10:17:33 GMT 2023
Edited
by admin
on Sat Dec 16 10:17:33 GMT 2023
Record UNII
O6W064NQ9M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ORG-13011 FUMARATE
Common Name English
2-PYRROLIDINONE, 1-(4-(4-(4-(TRIFLUOROMETHYL)-2-PYRIDINYL)-1-PIPERAZINYL)BUTYL)-, (E)-2-BUTENEDIOATE (1:1)
Systematic Name English
2-PYRROLIDINONE, 1-(4-(4-(4-(TRIFLUOROMETHYL)-2-PYRIDINYL)-1-PIPERAZINYL)BUTYL)-, (2E)-2-BUTENEDIOATE (1:1)
Systematic Name English
ORG-13011-FUMARATE
Common Name English
Code System Code Type Description
CAS
142494-13-1
Created by admin on Sat Dec 16 10:17:33 GMT 2023 , Edited by admin on Sat Dec 16 10:17:33 GMT 2023
PRIMARY
PUBCHEM
70682615
Created by admin on Sat Dec 16 10:17:33 GMT 2023 , Edited by admin on Sat Dec 16 10:17:33 GMT 2023
PRIMARY
FDA UNII
O6W064NQ9M
Created by admin on Sat Dec 16 10:17:33 GMT 2023 , Edited by admin on Sat Dec 16 10:17:33 GMT 2023
PRIMARY
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ACTIVE MOIETY