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Details

Stereochemistry ACHIRAL
Molecular Formula C22H18Cl2N6O
Molecular Weight 453.324
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-PIPERIDINONE, 1-(8-(2-CHLOROPHENYL)-9-(4-CHLOROPHENYL)-9H-PURIN-6-YL)-, OXIME

SMILES

ON=C1CCN(CC1)C2=NC=NC3=C2N=C(N3C4=CC=C(Cl)C=C4)C5=CC=CC=C5Cl

InChI

InChIKey=CCKTXQQCVIWQEZ-UHFFFAOYSA-N
InChI=1S/C22H18Cl2N6O/c23-14-5-7-16(8-6-14)30-20(17-3-1-2-4-18(17)24)27-19-21(25-13-26-22(19)30)29-11-9-15(28-31)10-12-29/h1-8,13,31H,9-12H2

HIDE SMILES / InChI

Molecular Formula C22H18Cl2N6O
Molecular Weight 453.324
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 16:37:55 GMT 2023
Edited
by admin
on Sat Dec 16 16:37:55 GMT 2023
Record UNII
U7XUY5K4AT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-PIPERIDINONE, 1-(8-(2-CHLOROPHENYL)-9-(4-CHLOROPHENYL)-9H-PURIN-6-YL)-, OXIME
Systematic Name English
CP-945,598 METABOLITE M4
Common Name English
Code System Code Type Description
CAS
686347-58-0
Created by admin on Sat Dec 16 16:37:55 GMT 2023 , Edited by admin on Sat Dec 16 16:37:55 GMT 2023
PRIMARY
PUBCHEM
21905790
Created by admin on Sat Dec 16 16:37:55 GMT 2023 , Edited by admin on Sat Dec 16 16:37:55 GMT 2023
PRIMARY
FDA UNII
U7XUY5K4AT
Created by admin on Sat Dec 16 16:37:55 GMT 2023 , Edited by admin on Sat Dec 16 16:37:55 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
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