DEHYDROARIPIPRAZOLE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C23H25Cl2N3O2
Molecular Weight	446.37
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

ClC1=CC=CC(N2CCN(CCCCOC3=CC=C4C=CC(=O)NC4=C3)CC2)=C1Cl

InChI

InChIKey=CDONPRYEWWPREK-UHFFFAOYSA-N

InChI=1S/C23H25Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-9,16H,1-2,10-15H2,(H,26,29)

HIDE SMILES / InChI

Molecular Formula	C23H25Cl2N3O2
Molecular Weight	446.37
Charge	0
Count

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

Approval Year

Targets

Primary Target	Pharmacology	Potency
Dopamine D2 receptor 297 Target ID: CHEMBL217 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22845053	Agonist 2678	6.3 nM [EC50]
P-glycoprotein 1 54 Target ID: CHEMBL4302 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22847220	Inhibitor 8297	1.3 µM [IC50]
ATP-binding cassette sub-family G member 2 16 Target ID: CHEMBL5393 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22847220	Inhibitor 8297	0.52 µM [IC50]

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 05:50:07 UTC 2023` Edited by `admin` on `Sat Dec 16 05:50:07 UTC 2023`
Record UNII	2S514OZH3B
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DEHYDROARIPIPRAZOLE

Common Name

English

ARIPIPRAZOLE RELATED COMPOUND G [USP-RS]

Common Name

English

7-(4-(4-(2,3-DICHLOROPHENYL)PIPERAZIN-1-YL)BUTOXY)QUINOLIN-2(1H)-ONE

Systematic Name

English

OPC-14857

Code

English

ARIPIPRAZOLE IMPURITY E [EP IMPURITY]

Common Name

English

2(1H)-QUINOLINONE, 7-(4-(4-(2,3-DICHLOROPHENYL)-1-PIPERAZINYL)BUTOXY)-

Systematic Name

English

7-(4-(4-(2,3-DICHLOROPHENYL)-1-PIPERAZINYL)BUTOXY)-2(1H)-QUINOLINONE

Systematic Name

English

ARIPIPRAZOLE RELATED COMPOUND G [USP IMPURITY]

Common Name

English

DM-14857

Code

English

Code System Code Type Description

CAS

129722-25-4