CGS-12066B

Details

Stereochemistry	ACHIRAL
Molecular Formula	C17H17F3N4.2C4H4O4
Molecular Weight	566.4832
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)\C=C/C(O)=O.OC(=O)\C=C/C(O)=O.CN1CCN(CC1)C2=NC3=CC(=CC=C3N4C=CC=C24)C(F)(F)F

InChI

InChIKey=HTEVMLYDEWVIQE-SPIKMXEPSA-N

InChI=1S/C17H17F3N4.2C4H4O4/c1-22-7-9-23(10-8-22)16-15-3-2-6-24(15)14-5-4-12(17(18,19)20)11-13(14)21-16;2*5-3(6)1-2-4(7)8/h2-6,11H,7-10H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-

HIDE SMILES / InChI

Molecular Formula	C17H17F3N4
Molecular Weight	334.3389
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

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

Approval Year

PubMed

Title	Date	PubMed
Primary structure and functional characterization of a human 5-HT1D-type serotonin receptor.	1991 Aug	1652050
Cloning and expression of a novel serotonin receptor with high affinity for tricyclic psychotropic drugs.	1993 Mar	7680751
Pharmacological characterisation of the agonist radioligand binding site of 5-HT(2A), 5-HT(2B) and 5-HT(2C) receptors.	2004 Aug	15322733

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:51:51 GMT 2023` Edited by `admin` on `Sat Dec 16 09:51:51 GMT 2023`
Record UNII	VJ9I4R0C0C
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CGS-12066B

Common Name

English

7-TRIFLUOROMETHYL-4-(4-METHYL-1-PIPERAZINYL)PYRROLO(1,2-A)-QUINOXALINE DIMALEATE

Systematic Name

English

J381.504H

Code

English

PYRROLO(1,2-A)QUINOXALINE, 4-(4-METHYL-1-PIPERAZINYL)-7-(TRIFLUOROMETHYL)-, (2Z)-2-BUTENEDIOATE (1:2)

Systematic Name

English

Code System Code Type Description

PUBCHEM

9915956