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Details

Stereochemistry ACHIRAL
Molecular Formula C24H22N2O5
Molecular Weight 418.4419
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENQUITRIONE

SMILES

CN1C(=O)N(C(=O)C2=CC(=CC=C12)C(=O)C3C(=O)CCCC3=O)C4=C(C)C=CC=C4C

InChI

InChIKey=VIFAZRQTYOVSEU-UHFFFAOYSA-N
InChI=1S/C24H22N2O5/c1-13-6-4-7-14(2)21(13)26-23(30)16-12-15(10-11-17(16)25(3)24(26)31)22(29)20-18(27)8-5-9-19(20)28/h4,6-7,10-12,20H,5,8-9H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C24H22N2O5
Molecular Weight 418.4419
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 18:59:18 GMT 2023
Edited
by admin
on Sat Dec 16 18:59:18 GMT 2023
Record UNII
G9GBG4GN47
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENQUITRIONE
ISO  
Official Name English
2,4(1H,3H)-QUINAZOLINEDIONE, 3-(2,6-DIMETHYLPHENYL)-6-((2,6-DIOXOCYCLOHEXYL)CARBONYL)-1-METHYL-
Common Name English
2,4(1H,3H)-QUINAZOLINEDIONE, 3-(2,6-DIMETHYLPHENYL)-6-((2-HYDROXY-6-OXO-1-CYCLOHEXEN-1-YL)CARBONYL)-1-METHYL-
Systematic Name English
3-(2,6-DIMETHYLPHENYL)-6-((2-HYDROXY-6-OXO-1-CYCLOHEXEN-1-YL)CARBONYL)-1-METHYL-2,4(1H,3H)-QUINAZOLINEDIONE
Systematic Name English
3-(2,6-DIMETHYLPHENYL)-6-(2-HYDROXY-6-OXO(CYCLOHEX-1-ENE-1-CARBONYL))-1-METHYLQUINAZOLINE-2,4(1H,3H)-DIONE
Systematic Name English
6-((2-HYDROXY-6-OXOCYCLOHEX-1-EN-1-YL)CARBONYL)-1-METHYL-3-(2,6-XYLYL)QUINAZOLINE-2,4(1H,3H)-DIONE
Systematic Name English
BENQUITRIONE [ISO]
Common Name English
Code System Code Type Description
FDA UNII
G9GBG4GN47
Created by admin on Sat Dec 16 18:59:18 GMT 2023 , Edited by admin on Sat Dec 16 18:59:18 GMT 2023
PRIMARY
PUBCHEM
155670664
Created by admin on Sat Dec 16 18:59:18 GMT 2023 , Edited by admin on Sat Dec 16 18:59:18 GMT 2023
PRIMARY
ALANWOOD
benquitrione
Created by admin on Sat Dec 16 18:59:18 GMT 2023 , Edited by admin on Sat Dec 16 18:59:18 GMT 2023
PRIMARY
CAS
1639426-14-4
Created by admin on Sat Dec 16 18:59:18 GMT 2023 , Edited by admin on Sat Dec 16 18:59:18 GMT 2023
PRIMARY
EPA CompTox
DTXSID501337384
Created by admin on Sat Dec 16 18:59:18 GMT 2023 , Edited by admin on Sat Dec 16 18:59:18 GMT 2023
PRIMARY
CAS
2236608-06-1
Created by admin on Sat Dec 16 18:59:18 GMT 2023 , Edited by admin on Sat Dec 16 18:59:18 GMT 2023
ALTERNATIVE