1,3,5-TRI(4-TERT-BUTYL-2,6-DIMETHYL-3-HYDROXYBENZYL)-1,3,5-TRIAZINE-2,4,6(1H,3H,5H)-TRIONE

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

Structure Search

SMILES

CC1=C(CN2C(=O)N(CC3=C(C)C=C(C(O)=C3C)C(C)(C)C)C(=O)N(CC4=C(C)C=C(C(O)=C4C)C(C)(C)C)C2=O)C(C)=C(O)C(=C1)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

PubMed

Title	Date	PubMed
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.	2006-11	16497524
Estrogenic activity of phenolic additives determined by an in vitro yeast bioassay.	2001-02	11266322

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:51:23 GMT 2025` Edited by `admin` on `Mon Mar 31 18:51:23 GMT 2025`
Record UNII	253H13NWCQ
Record Status	`Validated (UNII)`
Record Version

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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-TRIAZINE-2,4,6(1H,3H,5H)-TRIONE, 1,3,5-TRIS((4-(1,1-DIMETHYLETHYL)-3-HYDROXY-2,6-DIMETHYLPHENYL)METHYL)-

Preferred 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-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