CE-127773

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H17Cl2N5O
Molecular Weight	438.309
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

ClC1=CC=C(C=C1)N2C(=NC3=C2N=CN=C3N4CCC(=O)CC4)C5=C(Cl)C=CC=C5

InChI

InChIKey=WBBSJAOABKSIBV-UHFFFAOYSA-N

InChI=1S/C22H17Cl2N5O/c23-14-5-7-15(8-6-14)29-20(17-3-1-2-4-18(17)24)27-19-21(25-13-26-22(19)29)28-11-9-16(30)10-12-28/h1-8,13H,9-12H2

HIDE SMILES / InChI

Molecular Formula	C22H17Cl2N5O
Molecular Weight	438.309
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 08:10:31 GMT 2025` Edited by `admin` on `Wed Apr 02 08:10:31 GMT 2025`
Record UNII	MG133Y6M32
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

CE-127773

Code

English

CE-127,773

Preferred Name

English

4-PIPERIDINONE, 1-(8-(2-CHLOROPHENYL)-9-(4-CHLOROPHENYL)-9H-PURIN-6-YL)-

Systematic Name

English

CP-945,598 METABOLITE M5

Common Name

English

1-(8-(2-CHLOROPHENYL)-9-(4-CHLOROPHENYL)-9H-PURIN-6-YL)-4-PIPERIDINONE

Systematic Name

English

Code System Code Type Description

FDA UNII

MG133Y6M32

Created by admin on Wed Apr 02 08:10:31 GMT 2025 , Edited by admin on Wed Apr 02 08:10:31 GMT 2025

PRIMARY

CAS

686345-96-0

Created by admin on Wed Apr 02 08:10:31 GMT 2025 , Edited by admin on Wed Apr 02 08:10:31 GMT 2025

PRIMARY

PUBCHEM

21905841

Created by admin on Wed Apr 02 08:10:31 GMT 2025 , Edited by admin on Wed Apr 02 08:10:31 GMT 2025

PRIMARY

Related Record Type Details


					J8211Y53EF

OTENABANT

PARENT -> METABOLITE

Qualification:

PLASMA

Amount: