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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 of CE-127773

SMILES

ClC1=CC=C(C=C1)N2C(=NC3=C2N=CN=C3N4CCC(=O)CC4)C5=CC=CC=C5Cl

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 Sat Dec 16 16:38:53 GMT 2023
Edited
by admin
on Sat Dec 16 16:38:53 GMT 2023
Record UNII
MG133Y6M32
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CE-127773
Code English
4-PIPERIDINONE, 1-(8-(2-CHLOROPHENYL)-9-(4-CHLOROPHENYL)-9H-PURIN-6-YL)-
Systematic Name English
CE-127,773
Code 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 Sat Dec 16 16:38:53 GMT 2023 , Edited by admin on Sat Dec 16 16:38:53 GMT 2023
PRIMARY
CAS
686345-96-0
Created by admin on Sat Dec 16 16:38:53 GMT 2023 , Edited by admin on Sat Dec 16 16:38:53 GMT 2023
PRIMARY
PUBCHEM
21905841
Created by admin on Sat Dec 16 16:38:53 GMT 2023 , Edited by admin on Sat Dec 16 16:38:53 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
PLASMA