Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E0I8GZ)
DIG Name
Sucrose stearate
Synonyms    Click to Show/Hide the Synonyms of This DIG
Sucrose stearate; 25168-73-4; Sucrose, 1-stearate; 1-stearatesucrose; UNII-58RP7JU52K; 58RP7JU52K; 136152-91-5; sucrose stearate ester; SCHEMBL16254; DTXSID60159700; 1977AB; alpha-D-Glucopyranoside, 1-O-(1-oxooctadecyl)-beta-d-fructofuranosyl; MFCD00152822; ZINC100061980; Z-1816; Q27261613; 1-O-Stearoyl-beta-D-fructofuranosyl alpha-D-glucopyranoside; UNII-274KW0O50M component SZYSLWCAWVWFLT-UTGHZIEOSA-N; UNII-3H18P0UK73 component SZYSLWCAWVWFLT-UTGHZIEOSA-N; UNII-D0951OV2O1 component SZYSLWCAWVWFLT-UTGHZIEOSA-N; UNII-L98X941W2B component SZYSLWCAWVWFLT-UTGHZIEOSA-N; ((2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)tetrahydrofuran-2-yl)methyl stearate; [(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl octadecanoate
DIG Function
Dispersing agent; Emulsifying agent; Modified-release agent; Solubilizing agent; Surfactant; lubricant
PubChem CID
9898327
Formula
C30H56O12
Canonical SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@@]1([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI
1S/C30H56O12/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(33)39-20-30(28(38)25(35)22(19-32)41-30)42-29-27(37)26(36)24(34)21(18-31)40-29/h21-22,24-29,31-32,34-38H,2-20H2,1H3/t21-,22-,24-,25-,26+,27-,28+,29-,30+/m1/s1
InChIKey
SZYSLWCAWVWFLT-UTGHZIEOSA-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=9898327"></iframe>
3D MOL is not available 2D MOL
Physicochemical Properties Molecular Weight 608.8 Topological Polar Surface Area 196
XlogP 4.7 Complexity 726
Heavy Atom Count 42 Rotatable Bond Count 23
Hydrogen Bond Donor Count 7 Hydrogen Bond Acceptor Count 12
Full List of Active Pharmaceutical Ingredients (APIs) Co-administrated with This DIG
       ICD Disease Classification 08 Nervous system disease Click to Show/Hide
Tramadol
 API Info
Anaesthesia [ICD-11: 8E22]
 [1]
       ICD Disease Classification 11 Circulatory system disease Click to Show/Hide
Diltiazem
 API Info
Essential hypertension [ICD-11: BA00]
 [2]
Prasugrel
 API Info
Myocardial infarction [ICD-11: BA41]
 [3]
Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
      Oxidoreductase (ORase)
            DBT Name: Cytochrome P450 2E1 (CYP2E1) 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 = 173.9 uM (tested by experiment) [4]
                    Tested Species Homo sapiens (Human)
                    UniProt ID CP2E1_HUMAN
      Cell line (CELL)
            DBT Name: Lung cancer A-549 cells (A-549) 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 = 0.63 ug.mL-1 (estimated based on the structural similarity with CHEMBL552345 ) [5]
                    Structural Similarity Tanimoto coefficient = 0.940298507
                    Tested Species Homo sapiens (Human)
                    Cellosaurus ID CVCL_0023
References
1 FDA label for approved tramadol from the official website of the U.S. Food and Drug Administration.
2 FDA label for approved diltiazem from the official website of the U.S. Food and Drug Administration.
3 FDA label for approved prasugrel from the official website of the U.S. Food and Drug Administration.
4 Mediation of in vitro cytochrome p450 activity by common pharmaceutical excipients. Mol Pharm. 2013 Jul 1;10(7):2739-48.
5 Total synthesis and anticancer activity of highly potent novel glycolipid derivatives. Eur J Med Chem. 2009 Aug; 44(8):3120-9.

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