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Details

Stereochemistry ACHIRAL
Molecular Formula C15H22O
Molecular Weight 218.3346
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,6-DI-TERT-BUTYL-4-METHYLENE-2,5-CYCLOHEXADIENONE

SMILES

CC(C)(C)C1=CC(=C)C=C(C1=O)C(C)(C)C

InChI

InChIKey=JJQCWPWUHZFKBN-UHFFFAOYSA-N
InChI=1S/C15H22O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9H,1H2,2-7H3

HIDE SMILES / InChI

Molecular Formula C15H22O
Molecular Weight 218.3346
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Responses of tumorigenic and non-tumorigenic mouse lung epithelial cell lines to electrophilic metabolites of the tumor promoter butylated hydroxytoluene.
2003 Mar 6
Inhibition of glutathione S-transferase P1-1 in mouse lung epithelial cells by the tumor promoter 2,6-di-tert-butyl-4-methylene-2,5-cyclohexadienone (BHT-quinone methide): protein adducts investigated by electrospray mass spectrometry.
2004 Dec
Immunochemical and proteomic analysis of covalent adducts formed by quinone methide tumor promoters in mouse lung epithelial cell lines.
2005 Oct
Carbonyl reductase inactivation may contribute to mouse lung tumor promotion by electrophilic metabolites of butylated hydroxytoluene: protein alkylation in vivo and in vitro.
2008 Aug
Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:18:25 GMT 2023
Edited
by admin
on Fri Dec 15 18:18:25 GMT 2023
Record UNII
49860VI52B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,6-DI-TERT-BUTYL-4-METHYLENE-2,5-CYCLOHEXADIENONE
Systematic Name English
BHT-QUINONE METHIDE
Common Name English
2,5-CCYCLOHEXADIEN-1-ONE, 2,6-BIS(1,1-DIMETHYLETHYL)-4- METHYLENE-
Common Name English
2,6-BIS(1,1-DIMETHYLETHYL)-4-METHYLENE-2,5-CYCLOHEXADIEN-1- ONE
Systematic Name English
2,6-DI-T-BUTYL-4-METHYLENE-2,5-CYCLOHEXADIENONE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID70180707
Created by admin on Fri Dec 15 18:18:25 GMT 2023 , Edited by admin on Fri Dec 15 18:18:25 GMT 2023
PRIMARY
CAS
2607-52-5
Created by admin on Fri Dec 15 18:18:25 GMT 2023 , Edited by admin on Fri Dec 15 18:18:25 GMT 2023
PRIMARY
PUBCHEM
107736
Created by admin on Fri Dec 15 18:18:25 GMT 2023 , Edited by admin on Fri Dec 15 18:18:25 GMT 2023
PRIMARY
FDA UNII
49860VI52B
Created by admin on Fri Dec 15 18:18:25 GMT 2023 , Edited by admin on Fri Dec 15 18:18:25 GMT 2023
PRIMARY
MESH
C024709
Created by admin on Fri Dec 15 18:18:25 GMT 2023 , Edited by admin on Fri Dec 15 18:18:25 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE