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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 of CE-114764

SMILES

NC1(CCN(CC1)C2=NC=NC3=C2N=C(N3C4=CC=C(Cl)C=C4)C5=CC=CC=C5Cl)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

Molecular Formula C23H20Cl2N6O2
Molecular Weight 483.35
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 Sat Dec 16 16:46:43 GMT 2023
Edited
by admin
on Sat Dec 16 16:46:43 GMT 2023
Record UNII
Y0KJG11PJR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CE-114764
Code English
CE-114,764
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 Sat Dec 16 16:46:43 GMT 2023 , Edited by admin on Sat Dec 16 16:46:43 GMT 2023
PRIMARY
PUBCHEM
21905804
Created by admin on Sat Dec 16 16:46:43 GMT 2023 , Edited by admin on Sat Dec 16 16:46:43 GMT 2023
PRIMARY
FDA UNII
Y0KJG11PJR
Created by admin on Sat Dec 16 16:46:43 GMT 2023 , Edited by admin on Sat Dec 16 16:46:43 GMT 2023
PRIMARY
CAS
785776-25-2
Created by admin on Sat Dec 16 16:46:43 GMT 2023 , Edited by admin on Sat Dec 16 16:46:43 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MAJOR
FECAL
PARENT -> METABOLITE
MAJOR
URINE