CE-114764

Details

Stereochemistry	ACHIRAL
Molecular Formula	C23H20Cl2N6O2
Molecular Weight	483.35
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

NC1(CCN(CC1)C2=NC=NC3=C2N=C(N3C4=CC=C(Cl)C=C4)C5=C(Cl)C=CC=C5)C(O)=O

InChI

InChIKey=YWNQMJJLXLOBIK-UHFFFAOYSA-N

InChI=1S/C23H20Cl2N6O2/c24-14-5-7-15(8-6-14)31-19(16-3-1-2-4-17(16)25)29-18-20(27-13-28-21(18)31)30-11-9-23(26,10-12-30)22(32)33/h1-8,13H,9-12,26H2,(H,32,33)

HIDE SMILES / InChI

Approval Year

Name

Type

Language

CE-114,764

Preferred Name

English

CE-114764

Code

English

CP-945,598 METABOLITE M2

Common Name

English

4-PIPERIDINECARBOXYLIC ACID, 4-AMINO-1-(8-(2-CHLOROPHENYL)-9-(4-CHLOROPHENYL)-9H-PURIN-6-YL)-

Systematic Name

English

4-AMINO-1-(8-(2-CHLOROPHENYL)-9-(4-CHLOROPHENYL)-9H-PURIN-6-YL)-4-PIPERIDINECARBOXYLIC ACID

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID201120885

Created by admin on Wed Apr 02 08:23:01 GMT 2025 , Edited by admin on Wed Apr 02 08:23:01 GMT 2025

PRIMARY

PUBCHEM

21905804

Created by admin on Wed Apr 02 08:23:01 GMT 2025 , Edited by admin on Wed Apr 02 08:23:01 GMT 2025

PRIMARY

FDA UNII

Y0KJG11PJR

Created by admin on Wed Apr 02 08:23:01 GMT 2025 , Edited by admin on Wed Apr 02 08:23:01 GMT 2025

PRIMARY

CAS

785776-25-2

Created by admin on Wed Apr 02 08:23:01 GMT 2025 , Edited by admin on Wed Apr 02 08:23:01 GMT 2025

PRIMARY

PARENT (METABOLITE)


					J8211Y53EF

OTENABANT

SUBSTANCE RECORD


					Y0KJG11PJR

CE-114764