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Details

Stereochemistry ACHIRAL
Molecular Formula C13H14ClN3O4
Molecular Weight 311.721
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PNU-120596

SMILES

COC1=CC(OC)=C(Cl)C=C1NC(=O)NC2=NOC(C)=C2

InChI

InChIKey=CEIIEALEIHQDBX-UHFFFAOYSA-N
InChI=1S/C13H14ClN3O4/c1-7-4-12(17-21-7)16-13(18)15-9-5-8(14)10(19-2)6-11(9)20-3/h4-6H,1-3H3,(H2,15,16,17,18)

HIDE SMILES / InChI

Molecular Formula C13H14ClN3O4
Molecular Weight 311.721
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
6.8 null [pEC50]
Substance Class Chemical
Created
by admin
on Fri Dec 15 16:29:33 GMT 2023
Edited
by admin
on Fri Dec 15 16:29:33 GMT 2023
Record UNII
9EZT3PTH2J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PNU-120596
Common Name English
NSC-216666
Code English
UREA, N-(5-CHLORO-2,4-DIMETHOXYPHENYL)-N'-(5-METHYL-3-ISOXAZOLYL)-
Systematic Name English
1-(5-CHLORO-2,4-DIMETHOXYPHENYL)-3-(5-METHYLISOXAZOL-3-YL)UREA
Systematic Name English
N-(5-CHLORO-2,4-DIMETHOXYPHENYL)-N'-(5-METHYL-3-ISOXAZOLYL)-UREA
Systematic Name English
Code System Code Type Description
CAS
501925-31-1
Created by admin on Fri Dec 15 16:29:33 GMT 2023 , Edited by admin on Fri Dec 15 16:29:33 GMT 2023
PRIMARY
PUBCHEM
311434
Created by admin on Fri Dec 15 16:29:33 GMT 2023 , Edited by admin on Fri Dec 15 16:29:33 GMT 2023
PRIMARY
FDA UNII
9EZT3PTH2J
Created by admin on Fri Dec 15 16:29:33 GMT 2023 , Edited by admin on Fri Dec 15 16:29:33 GMT 2023
PRIMARY
WIKIPEDIA
PNU-120,596
Created by admin on Fri Dec 15 16:29:33 GMT 2023 , Edited by admin on Fri Dec 15 16:29:33 GMT 2023
PRIMARY
NSC
216666
Created by admin on Fri Dec 15 16:29:33 GMT 2023 , Edited by admin on Fri Dec 15 16:29:33 GMT 2023
PRIMARY
EPA CompTox
DTXSID10964528
Created by admin on Fri Dec 15 16:29:33 GMT 2023 , Edited by admin on Fri Dec 15 16:29:33 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY