Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E0R2GM)
DIG Name
Maltitol
Synonyms    Click to Show/Hide the Synonyms of This DIG
maltitol; 585-88-6; D-Maltitol; 4-O-alpha-D-Glucopyranosyl-D-glucitol; Maltisorb; Malbit; Maltit; Amalti Syrup; Malti Mr; Amalty MR 100; UNII-D65DG142WK; MFCD00006600; D-4-O-alpha-D-Glucopyranosylglucitol; Amalty; MLS000069503; D65DG142WK; CHEBI:68428; Maltitol, 95%; (2S,3R,4R,5R)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol; Maltitol (D-Maltitol); SMR000058608; alpha-D-glucopyranosyl-(1->4)-D-glucitol; D-Glucitol, 4-O-a-D-glucopyranosyl-; (2S,3R,4R,5R)-4-(((2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)hexane-1,2,3,5,6-pentaol; Maltitol [BAN:NF]; Emportal; Floralac; Portolac; Oponaf; delta-Maltitol; HSDB 7971; Maltitol (NF); EINECS 209-567-0; BRN 0089983; Maltitol, >=98%; Opera_ID_636; Maltitol (6CI,7CI); D-Glucopyranosyl-D-glucitol; SCHEMBL15108; 4-o-alpha-d-Glucopyranosyl-; Manganese(IV)Oxide,Activated; 5-17-07-00145 (Beilstein Handbook Reference); MLS001148576; CHEMBL63558; DTXSID0044444; HMS2234B21; alpha-D-Glc-(1->4)-D-Glc-ol; HY-B2122; ZINC4262249; 4-O-alpha-Glucopyranosyl-D-sorbitol; alpha-D-Glcp-(1->4)-D-Glc-ol; s3950; alpha-D-glucosyl-(1->4)-D-glucitol; CCG-267963; SMP1_000186; CS-15369; D-Glucitol, 4-O-alpha-D-glucopyranosyl-; E965; 4-O-b-D-Galactopyranosyl-D-glucitol, 9CI; CS-0020280; D-Glucitol, 4--O-.alpha.-D-glucopyranosyl; delta-4-O-alpha-delta-Glucopyranosylglucitol; Glucitol, 4-O-alpha-D-glucopyranosyl-, D-; M0601; M0797; 4-O-alpha-delta-Glucopyranosyl-delta-glucitol; D04845; Q423882; SR-01000759231; Q-101038; SR-01000759231-4; Maltitol, European Pharmacopoeia (EP) Reference Standard; UNII-27F77DSJ5V component VQHSOMBJVWLPSR-WUJBLJFYSA-N; Maltitol, United States Pharmacopeia (USP) Reference Standard; Maltitol, Pharmaceutical Secondary Standard; Certified Reference Material; (2S,3R,4R,5R)-4-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)hexane-1,2,3,5,6-pentaol; (2S,3R,4R,5R)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyhexane-1,2,3,5,6-pentol; (2S,3R,4R,5R)-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexane-1,2,3,5,6-pentol; (2S,3R,4R,5R)-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}hexane-1,2,3,5,6-pentol
DIG Function
Binding agent; Coating agent; Diluent; Flavoring agent
PubChem CID
493591
Formula
C12H24O11
Canonical SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](CO)O)O)O)O)O)O
InChI
1S/C12H24O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4-21H,1-3H2/t4-,5+,6+,7+,8+,9-,10+,11+,12+/m0/s1
InChIKey
VQHSOMBJVWLPSR-WUJBLJFYSA-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=493591"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 344.31 Topological Polar Surface Area 201
XlogP -5.2 Complexity 343
Heavy Atom Count 23 Rotatable Bond Count 8
Hydrogen Bond Donor Count 9 Hydrogen Bond Acceptor Count 11
Full List of Active Pharmaceutical Ingredients (APIs) Co-administrated with This DIG
       ICD Disease Classification 06 Mental/behavioural/neurodevelopmental disorder Click to Show/Hide
Buprenorphine
 API Info
Opiate dependence [ICD-11: 6C43]
 [1]
       ICD Disease Classification 08 Nervous system disease Click to Show/Hide
Acetaminophen
 API Info
Anaesthesia [ICD-11: 8E22]
 [2]
       ICD Disease Classification 11 Circulatory system disease Click to Show/Hide
Icosapent ethyl
 API Info
Myocardial infarction [ICD-11: BA41]
 [3]
Ivabradine
 API Info
Angina pectoris [ICD-11: BA40]
 [4]
       ICD Disease Classification 13 Digestive system disease Click to Show/Hide
Lansoprazole
 API Info
Duodenal ulcer [ICD-11: DA63]
 [5]
Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
      Cell line (CELL)
            DBT Name: Carcinoma MDA-MB-231 cells (MDA-MB-231) 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 = 92350 nM (estimated based on the structural similarity with CHEMBL4539030 ) [6]
                    Structural Similarity Tanimoto coefficient = 0.979166667
                    Tested Species Homo sapiens (Human)
                    Cellosaurus ID CVCL_0062
References
1 FDA label for approved buprenorphine from the official website of the U.S. Food and Drug Administration.
2 FDA label for approved acetaminophen from the official website of the U.S. Food and Drug Administration.
3 FDA label for approved icosapent ethyl from the official website of the U.S. Food and Drug Administration.
4 FDA label for approved ivabradine from the official website of the U.S. Food and Drug Administration.
5 FDA label for approved lansoprazole from the official website of the U.S. Food and Drug Administration.
6 Novel natural compounds from endophytic fungi with anticancer activity. Eur J Med Chem. 2018 Aug 5; 156:316-343.

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