Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E09WWS)
DIG Name
Tocopheryl acetate
Synonyms    Click to Show/Hide the Synonyms of This DIG
Vitamin E acetate; alpha-Tocopherol acetate; Tocopherol acetate; D-alpha-tocopherol acetate; 58-95-7; Alfacol; Ecofrol; D-ALPHA-TOCOPHERYL ACETATE; Contopheron; Tofaxin; Econ; Ephynal acetate; Tokoferol acetate; (+)-alpha-Tocopherol acetate; Tocopherex; Evipherol; Tocophrin; Erevit; Gevex; Juvela; Combinal E; Tocopheryl acetate; Epsilan-M; E-Toplex; E-Ferol; Endo E Dompe; Spondyvit; DL-alpha-Tocopheryl acetate; Copherol 1250; Covitol 1100; Covitol 1360; Vitamin Ealpha acetate; alpha-Tocopheryl acetate; Vitamin E acetate, d-; 7695-91-2; Nanotopes; Simmyungsaengmosu; Fertilvit; NatAc; Tinoderm E; Natur-E granulate; DL-; A-Tocopherol acetate; DL-alpha tocopheryl acetate; DL-alpha-Tocopherol acetate; C31H52O3; Lutavit E 50; Ephynal; (+)-alpha-Tocopheryl acetate; UNII-A7E6112E4N; CCRIS 4389; alpha-Tocopherol acetate, all rac; (R,R,R)-alpha-Tocopheryl acetate; .alpha.-Tocopherol acetate; EINECS 200-405-4; EINECS 231-710-0; 52225-20-4; MFCD00072042; MFCD00072052; D-.alpha.-Tocopherol acetate; Tocopheryl acetate, D-alpha-; Vitamin E Acetate (D-form); UNII-9E8X80D2L0; Vectan (TN); BRN 0097512; (2R,4'R,8'R)-alpha-Tocopheryl acetate; CHEBI:32321; A7E6112E4N; alpha-Tocopherol acetate, (2R,4'R,8'R)-; alpha-Tocopherylis acetas; Tocopherolacetate, alpha-; O-Acetyl-alpha-tocopherol; DL-alpha-Tocopherylacetate; Tocopherol acetate [JAN]; DSSTox_CID_1356; .alpha.-Tocopheryl acetate; DSSTox_RID_76104; DSSTox_RID_78863; Tocopherol acetate (JP17); CHEMBL1047; DSSTox_GSID_21356; DSSTox_GSID_31096; NCGC00166253-02; SCHEMBL22298; (+-)-alpha-Tocopherol acetate; 3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-yl acetate; MLS001335985; MLS001335986; (+)-.alpha.-Tocopherol acetate; (+)-.alpha.-Tocopheryl acetate; D-alpha-Tocopheryl acetate, 97%; EC 231-710-0; T-3376; 9E8X80D2L0; HMS2230C20; DL-alpha-Tocopheryl acetate, 98%; Vitamin E Acetate Oil - Synthetic; 5-17-04-00169 (Beilstein Handbook Reference); Tox21_111491; Tox21_111564; Tox21_113467; Tox21_303444; ZINC4172337; 2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-6-cromanyl acetate, (+)-; 6-Cromanol, 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, acetate, (+)-; (R,R,R)-.alpha.-Tocopheryl acetate; 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, acetate; 6-Chromanol, 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, acetate, (+)-; CCRIS 6054; AKOS025117621; Tox21_113467_1; [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] acetate; 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, acetate, (2R-(2*(4R*,8R*)))-; 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, acetate, [2R-[2R*(4R*,8R*)]]-; 3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl acetate, (2R-(2*(4R*,8R*)))-; CAS-58-95-7; (+-)-alpha-Tocopherol Acetateacid ester; NCGC00095255-08; NCGC00166253-01; NCGC00257504-01; AS-13784; SMR000857327; CAS-52225-20-4; EINECS 257-757-7; (2R,4'R,8'R)-.alpha.-Tocopheryl acetate; DL-alpha-Tocopherol acetate, >=96% (HPLC); DL-alpha-Tocopherol acetate, 50% powder form; 6-Chromanol, 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, acetate; C13202; D01735; DL-alpha-Tocopherylacetate (Vitamin E acetate); J10308; DL-alpha-Tocopherol acetate, analytical standard; DL-alpha-Tocopherol acetate, EP/USP/FCC grade; [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chroman-6-yl] acetate; 3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-b- enzopyran-6-ol, acetate; [2R*(4R*,8R*)]-()-3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-yl acetate; 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-, acetate, (2R)-; 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-, acetate, (2R)-rel-; 54-22-8; Q-201933; W-109259; ECA8C22F-B5D3-4B88-A9B7-AF6C600001BB; DL-alpha-Tocopherol acetate, tested according to Ph.Eur.; UNII-WR1WPI7EW8 component ZAKOWWREFLAJOT-CEFNRUSXSA-N; (+)-alpha-Tocopherol acetate, oil or semi-solid, ~1360 IU/g, semisynthetic; Alpha Tocopheryl Acetate, United States Pharmacopeia (USP) Reference Standard; alpha-Tocopherol acetate, European Pharmacopoeia (EP) Reference Standard; DL-alpha-Tocopherol acetate, certified reference material, TraceCERT(R); (+)-alpha-Tocopherol acetate, BioReagent, suitable for insect cell culture, ~1360 IU/g; (R)-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)chroman-6-yl acetate; 2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-chromen-6-yl acetate #; Tocopheryl Acetate, a, Pharmaceutical Secondary Standard; Certified Reference Material; (2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-yl acetate; [2R-[2R*(4R,8R*)]]-3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ol acetate; 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-, 6-acetate, (2R)-; 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, 6-acetate; all-rac-2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-yl acetate; All-rac-alpha-tocopheryl acetate for peak identification, European Pharmacopoeia (EP) Reference Standard; d-Alpha Tocopheryl Acetate; Copherol 12250; DL-ALPHA-TOCOPHEROLACETATE; d-; ATocopheryl Acetate; O-Acetyl-; A-tocopherol; AC1L3BMH; vitamin E acetate, (2R-(2R*(4R*,8R*)))-isomer; DL-; A-Tocopheryl acetate; vitamin E acetate, ((2R*(4R*,8R*))-(+-))-isomer; AC1Q1PB2; (+)-; A-Tocopherol acetate; (+)-; A-Tocopheryl Acetate; all-rac-; A-Tocopheryl acetate; (R,R,R)-; A-Tocopheryl Acetate; (2R*(4R*,8R*))-(1)-3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-yl acetate; 1406-70-8; 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, acetate,(2R*(4R*,8R*))-(+-)-; LS-245; FT-0624407; (2R,4'R,8'R)-; A-Tocopherol Acetate; (2R,4'R,8'R)-; A-Tocopheryl Acetate; D- -tocopherylacetate; LS-39402; LS-53371; SC-16401; SC-18242; Alpha Tocopheryl Acetate; D-alpha tocoferil acetate; RRR-alpha-tocopheryl acetate; (+)-alfa-tocopherol acetate; alpha-tocopheryl acetate, D-; DTXSID1031096; DTXSID3021356; MolPort-003-928-528; HY-B1278; s3681; 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chromanol acetate; CCG-269474; DB14002; (2R)-3,4-Dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-ol 6-Acetate; 2H-1-benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, acetate,; 2H-1-Benzopyran-6-ol,3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-,6-acetate, (2R)-; AK176402; CS-0013056; Tocopheryl acetate (Vitamin E acetate) solution; Q364160; UNII-9E8X80D2L0 component ZAKOWWREFLAJOT-CEFNRUSXSA-N; DL-alpha-Tocopherylacetate (Vitamin E acetate) 10 microg/mL in Acetonitrile; 12741-00-3; 133-80-2; 1407-18-7; 26243-95-8
DIG Function
Antioxidant
PubChem CID
86472
Formula
C31H52O3
Canonical SMILES
CC1=C(C(=C(C2=C1O[C@](CC2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)OC(=O)C)C
InChI
1S/C31H52O3/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-31(9)20-18-28-26(7)29(33-27(8)32)24(5)25(6)30(28)34-31/h21-23H,10-20H2,1-9H3/t22-,23-,31-/m1/s1
InChIKey
ZAKOWWREFLAJOT-CEFNRUSXSA-N
   Click to Show/Hide the Molecular Data (Structure/Property) of This DIG
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=86472"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 472.7 Topological Polar Surface Area 35.5
XlogP 10.8 Complexity 602
Heavy Atom Count 34 Rotatable Bond Count 14
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3
Full List of Active Pharmaceutical Ingredients (APIs) Co-administrated with This DIG
       ICD Disease Classification 04 Immune system disease Click to Show/Hide
Cetirizine
 API Info
Allergy [ICD-11: 4A80]
 [1]
       ICD Disease Classification 12 Respiratory system disease Click to Show/Hide
Sirolimus
 API Info
Lymphangioleiomyomatosis [ICD-11: CB07]
 [2]
Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
      Cell line (CELL)
            DBT Name: Prostate cancer LNCaP cells (LNCaP) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity EC50 = 38000 nM (estimated based on the structural similarity with CHEMBL242495 ) [3]
                    Structural Similarity Tanimoto coefficient = 0.933333333
                    Tested Species Homo sapiens (Human)
                    Cellosaurus ID CVCL_0395
            DBT Name: Breast cancer MCF7 cells (MCF7) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity IC50 > 500000 nM (tested by experiment) [4]
                    Tested Species Homo sapiens (Human)
                    Cellosaurus ID CVCL_0031
References
1 FDA label for approved cetirizine from the official website of the U.S. Food and Drug Administration.
2 FDA label for approved sirolimus from the official website of the U.S. Food and Drug Administration.
3 First pharmacophore-based identification of androgen receptor down-regulating agents: discovery of potent anti-prostate cancer agents. Bioorg Med Chem. 2007 May 15; 15(10):3413-21.
4 Design and synthesis of analogs of vitamin E: antiproliferative activity against human breast adenocarcinoma cells. Bioorg Med Chem Lett. 1998 Sep 22; 8(18):2433-8.

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