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Details

Stereochemistry ACHIRAL
Molecular Formula C42H57N3O6
Molecular Weight 699.9185
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,3,5-TRI(4-TERT-BUTYL-2,6-DIMETHYL-3-HYDROXYBENZYL)-1,3,5-TRIAZINE-2,4,6(1H,3H,5H)-TRIONE

SMILES

CC1=CC(=C(O)C(C)=C1CN2C(=O)N(CC3=C(C)C=C(C(O)=C3C)C(C)(C)C)C(=O)N(CC4=C(C)C(O)=C(C=C4C)C(C)(C)C)C2=O)C(C)(C)C

InChI

InChIKey=XYXJKPCGSGVSBO-UHFFFAOYSA-N
InChI=1S/C42H57N3O6/c1-22-16-31(40(7,8)9)34(46)25(4)28(22)19-43-37(49)44(20-29-23(2)17-32(41(10,11)12)35(47)26(29)5)39(51)45(38(43)50)21-30-24(3)18-33(42(13,14)15)36(48)27(30)6/h16-18,46-48H,19-21H2,1-15H3

HIDE SMILES / InChI
Molecular Formula C42H57N3O6
Molecular Weight 699.9185
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
139594
PubMed

PubMed

TitleDatePubMed
Estrogenic activity of phenolic additives determined by an in vitro yeast bioassay.
2001 Feb
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.
2006 Nov
Patents

Patents

JP2004051576A
1
JPH0825560A
1
JPS60262884A
1
Substance Class Chemical
Created
by admin
on Fri Dec 15 17:45:03 GMT 2023
Edited
by admin
on Fri Dec 15 17:45:03 GMT 2023
Record UNII
253H13NWCQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,3,5-TRI(4-TERT-BUTYL-2,6-DIMETHYL-3-HYDROXYBENZYL)-1,3,5-TRIAZINE-2,4,6(1H,3H,5H)-TRIONE
Common Name English
1,3,5-TRIS(4-TERT-BUTYL-2,6-DIMETHYL-3-HYDROXYBENZYL) ISOCYANURATE
Common Name English
CYNOMIX 1790
Common Name English
1,3,5-TRIS(2,6-DIMETHYL-4-TERT-BUTYL-3-HYDROXYBENZYL) ISOCYANURATE
Common Name English
LOWINOX 1790
Common Name English
1,3,5-TRIS((4-TERT-BUTYL-3-HYDROXY-2,6-XYLYL)METHYL)-1,3,5-TRIAZINE-2,4,6(1H,3H,5H)-TRIONE
Common Name English
ANTIOXIDANT 1790
Common Name English
1,3,5-TRIS(4-TERT-BUTYL-3-HYDROXY-2,6-DIMETHYLPHENYLMETHYL)-1,3,5-TRIAZINE-2,4,6-(1H,3H,5H)TRIONE
Common Name English
1,3,5-TRIS(4-TERT-BUTYL-3-HYDROXY-2,6-DIMETHYLBENZYL)ISOCYANURIC ACID
Common Name English
IRGANOX 3790
Common Name English
CYANOX 1790
Common Name English
1,3,5-TRIAZINE-2,4,6(1H,3H,5H)-TRIONE, 1,3,5-TRIS((4-(1,1-DIMETHYLETHYL)-3-HYDROXY-2,6-DIMETHYLPHENYL)METHYL)-
Common Name English
1,3,5-TRIS(4-TERT-BUTYL-3-HYDROXY-2,6-DIMETHYLBENZYL)-1,3,5-TRIAZINE-2,4,6(1H,3H,5H)-TRIONE
Common Name English
1,3,5-TRIS(4-TERT-BUTYL-3-HYDROXY-2,6-DIMETHYLBENZYL)-S-TRIAZINE-2,4,6-(1H,3H,5H)-TRIONE
Common Name English
ADK-ARKLS DH 48
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID8028008
Created by admin on Fri Dec 15 17:45:03 GMT 2023 , Edited by admin on Fri Dec 15 17:45:03 GMT 2023
PRIMARY
PUBCHEM
93221
Created by admin on Fri Dec 15 17:45:03 GMT 2023 , Edited by admin on Fri Dec 15 17:45:03 GMT 2023
PRIMARY
ECHA (EC/EINECS)
254-996-9
Created by admin on Fri Dec 15 17:45:03 GMT 2023 , Edited by admin on Fri Dec 15 17:45:03 GMT 2023
PRIMARY
FDA UNII
253H13NWCQ
Created by admin on Fri Dec 15 17:45:03 GMT 2023 , Edited by admin on Fri Dec 15 17:45:03 GMT 2023
PRIMARY
CAS
40601-76-1
Created by admin on Fri Dec 15 17:45:03 GMT 2023 , Edited by admin on Fri Dec 15 17:45:03 GMT 2023
PRIMARY
NIH
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