GBR-12879 DIHYDROCHLORIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C28H30F2N2O.2ClH
Molecular Weight	521.469
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.Cl.FC1=CC=C(C=C1)C(OCCN2CCN(C\C=C\C3=CC=CC=C3)CC2)C4=CC=C(F)C=C4

InChI

InChIKey=ZBSZWEYIIGLGSX-RDRKJGRWSA-N

InChI=1S/C28H30F2N2O.2ClH/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23;;/h1-15,28H,16-22H2;2*1H/b7-4+;;

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

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

Molecular Formula	C28H30F2N2O
Molecular Weight	448.5474
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Targets

Primary Target	Pharmacology	Potency
Mu opioid receptor 221 Target ID: CHEMBL233 Sources: https://www.ncbi.nlm.nih.gov/pubmed/11585444	Binding Agent 1064	2690.0 nM [IC50]
Kappa opioid receptor 108 Target ID: CHEMBL237 Sources: https://www.ncbi.nlm.nih.gov/pubmed/11585444	Binding Agent 1064	1770.0 nM [IC50]
Dopamine transporter 180 Target ID: CHEMBL338 Sources: https://www.ncbi.nlm.nih.gov/pubmed/18393401	Inhibitor 8297	0.9 nM [Ki]
Serotonin transporter 178 Target ID: CHEMBL313 Sources: https://www.ncbi.nlm.nih.gov/pubmed/18393401	Inhibitor 8297	140.0 nM [Ki]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:14:03 GMT 2023` Edited by `admin` on `Sat Dec 16 10:14:03 GMT 2023`
Record UNII	0G7C81J7OM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GBR-12879 DIHYDROCHLORIDE

Common Name

English

PIPERAZINE, 1-(2-(BIS(4-FLUOROPHENYL)METHOXY)ETHYL)-4-(3-PHENYL-2-PROPENYL)-, DIHYDROCHLORIDE

Systematic Name

English

PIPERAZINE, 1-(2-(BIS(4-FLUOROPHENYL)METHOXY)ETHYL)-4-(3-PHENYL-2-PROPEN-1-YL)-, HYDROCHLORIDE (1:2)

Systematic Name

English

Code System Code Type Description

PUBCHEM

24978531

Created by admin on Sat Dec 16 10:14:04 GMT 2023 , Edited by admin on Sat Dec 16 10:14:04 GMT 2023

PRIMARY

EPA CompTox

DTXSID2042569

Created by admin on Sat Dec 16 10:14:04 GMT 2023 , Edited by admin on Sat Dec 16 10:14:04 GMT 2023

PRIMARY

CAS

67469-45-8

Created by admin on Sat Dec 16 10:14:04 GMT 2023 , Edited by admin on Sat Dec 16 10:14:04 GMT 2023

PRIMARY

FDA UNII

0G7C81J7OM

Created by admin on Sat Dec 16 10:14:04 GMT 2023 , Edited by admin on Sat Dec 16 10:14:04 GMT 2023

PRIMARY

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