Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E0N6BJ)
DIG Name
Diethyl phthalate
Synonyms    Click to Show/Hide the Synonyms of This DIG
DIETHYL PHTHALATE; 84-66-2; phthalic acid diethyl ester; Ethyl phthalate; Anozol; diethyl benzene-1,2-dicarboxylate; Neantine; Phthalol; Solvanol; Diethylphthalate; Diethyl o-phthalate; Palatinol A; Placidol E; Unimoll DA; Phthalsaeurediaethylester; o-Bis(ethoxycarbonyl)benzene; Diethyl 1,2-benzenedicarboxylate; 1,2-Diethyl phthalate; Estol 1550; o-Benzenedicarboxylic acid diethyl ester; Di-n-ethyl phthalate; Diethyl o-phenylenediacetate; 1,2-Benzenedicarboxylic acid, diethyl ester; diethyl phtalate; Phthalic acid, diethyl ester; RCRA waste number U088; Diethylester kyseliny ftalove; NCI-C60048; 1,2-benzenedicarboxylic acid diethyl ester; NSC 8905; UNII-UF064M00AF; 1,2-Benzenedicarboxylic acid, 1,2-diethyl ester; CHEBI:34698; Diethyl phthalate (NF); Diethyl phthalate [NF]; Diethyl phthalate, 99%; 1,2-Benzenedicarboxylic acid, di-C4-13-alkyl esters; UF064M00AF; MFCD00009111; NCGC00090974-03; o-Benzenedicarboxylic acid, diethyl ester; benzene-1,2-dicarboxylic acid diethyl ester; DSSTox_CID_1780; DSSTox_RID_76323; DSSTox_GSID_21780; ethyl 2-(ethoxycarbonyl)benzoate; Phthalic acid, bis-iso-nonyl ester; diethyl-phthalate; CAS-84-66-2; SMR000857334; CCRIS 2675; HSDB 926; DPX-F5384; Phthalsaeurediaethylester [German]; EINECS 201-550-6; Diethyl phthalate, PESTANAL(R), analytical standard; Diethylester kyseliny ftalove [Czech]; RCRA waste no. U088; BRN 1912500; AI3-00329; Kodaflex DEP; Diethyl-o-phthalate; EINECS 273-520-0; Diethyl phthalic acid; Phthalic acid diethyl; 99873-99-1; Diethyl Phthalate, NF; ACMC-20aj0r; Diethyl phthalate-[d4]; Diethyl phthalate-[d14]; diethyl 1,2-benzenedioate; bmse000846; Epitope ID:140105; EC 201-550-6; WLN: 2OVR BVO2; Diethyl phthalate, >=99%; Diethyl phthalate, 99.5%; SCHEMBL22296; 2,3-dimethoxyphenylaceticacid; dimethyphalate ,ethylphthalate; 4-09-00-03172 (Beilstein Handbook Reference); MLS001336021; MLS001336022; MLS002152901; MLS002177800; BIDD:ER0639; Phthalic acid, bis-ethyl ester; CHEMBL388558; ZINC1287; Diethyl phthalate, >=99.5%; DTXSID7021780; Diethyl-1,2-benzenedicarboxylate; NSC8905; Diethyl phthalate, LR, >=99%; HMS2233J05; HMS3369G01; PHTHALIC ACID,DIETHYL ESTER; ACN-S002427; Diethyl phthalate/dimethyl phthalate; NSC-8905; Tox21_111050; Tox21_201874; Tox21_300183; ANW-75577; BBL011577; SBB060561; STL163320; AKOS000119867; MCULE-8221041887; Diethyl Phthalate MIL-D-242 Mil Spec; NCGC00090974-01; NCGC00090974-02; NCGC00090974-04; NCGC00090974-05; NCGC00090974-06; NCGC00254098-01; NCGC00259423-01; Diethyl Phthalate Metal Plastic IBC/Tote; CS-0013981; FT-0624802; FT-0666787; P0296; ST50406385; Diethyl ester of 1,2-Benzenedicarboxylic acid; Diethylphthalate, A-A-59314, JAN-D-242; Phthalic acid, bis-isononyl ester (technical); C14175; D03804; Diethyl phthalate, SAJ special grade, >=98.0%; Q419811; Q-200982; F1908-0104; Phthalic acid, bis-C6-C8-branched alkyl esters C7-rich; Diethyl phthalate, European Pharmacopoeia (EP) Reference Standard; Diethyl phthalate, United States Pharmacopeia (USP) Reference Standard; Phthalic acid, bis-isononyl ester (technical) 10 microg/mL in Cyclohexane; Diethyl Phthalate, Pharmaceutical Secondary Standard; Certified Reference Material
DIG Function
Plasticizing agent; Solvent
PubChem CID
6781
Formula
C12H14O4
Canonical SMILES
CCOC(=O)C1=CC=CC=C1C(=O)OCC
InChI
1S/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H3
InChIKey
FLKPEMZONWLCSK-UHFFFAOYSA-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=6781"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 222.24 Topological Polar Surface Area 52.6
XlogP 2.5 Complexity 223
Heavy Atom Count 16 Rotatable Bond Count 6
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4
Full List of Active Pharmaceutical Ingredients (APIs) Co-administrated with This DIG
       ICD Disease Classification 01 Infectious/parasitic disease Click to Show/Hide
Didanosine
 API Info
Human immunodeficiency virus infection [ICD-11: 1C60]
 [1]
Linezolid
 API Info
Streptococcus bacterial infection [ICD-11: 1C41]
 [2]
       ICD Disease Classification 05 Endocrine/nutritional/metabolic disease Click to Show/Hide
Potassium chloride
 API Info
Hypokalemia [ICD-11: 5C77]
 [3]
       ICD Disease Classification 06 Mental/behavioural/neurodevelopmental disorder Click to Show/Hide
Lamotrigine
 API Info
Bipolar disorder [ICD-11: 6A60]
 [4]
Cyclobenzaprine
 API Info
Major depressive disorder [ICD-11: 6A70]
 [5]
Naltrexone
 API Info
Alcohol dependence [ICD-11: 6C40]
 [6]
       ICD Disease Classification 08 Nervous system disease Click to Show/Hide
Morphine
 API Info
Anaesthesia [ICD-11: 8E22]
 [7]
Valproic acid
 API Info
Epilepsy [ICD-11: 8A60]
 [8]
Propranolol
 API Info
Migraine [ICD-11: 8A80]
 [9]
Ropinirole
 API Info
Parkinsonism [ICD-11: 8A00]
 [10]
Carbamazepine
 API Info
Epilepsy [ICD-11: 8A60]
 [11]
Topiramate
 API Info
Focal seizure [ICD-11: 8A68]
 [12]
Galantamine
 API Info
Alzheimer disease [ICD-11: 8A20]
 [13]
       ICD Disease Classification 11 Circulatory system disease Click to Show/Hide
Diltiazem
 API Info
Essential hypertension [ICD-11: BA00]
 [14]
Verapamil
 API Info
Essential hypertension [ICD-11: BA00]
 [15]
Isosorbide mononitrate
 API Info
Angina pectoris [ICD-11: BA40]
 [16]
       ICD Disease Classification 13 Digestive system disease Click to Show/Hide
Ranitidine
 API Info
Gastric ulcer [ICD-11: DA60]
 [17]
Rabeprazole
 API Info
Gastro-oesophageal reflux disease [ICD-11: DA22]
 [18]
       ICD Disease Classification 15 Musculoskeletal/connective-tissue disease Click to Show/Hide
Sulfasalazine
 API Info
Rheumatoid arthritis [ICD-11: FA20]
 [19]
Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
      Hydrolase (HDase)
            DBT Name: Phosphodiesterase 4D (PDE4D) 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 = 8.5 uM (tested by experiment) [20]
                    Tested Species Homo sapiens (Human)
                    UniProt ID PDE4D_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 = 38000 nM (estimated based on the structural similarity with CHEMBL4071043 ) [21]
                    Structural Similarity Tanimoto coefficient = 0.970588235
                    Tested Species Homo sapiens (Human)
                    Cellosaurus ID CVCL_0023
References
1 FDA label for approved didanosine from the official website of the U.S. Food and Drug Administration.
2 FDA label for approved linezolid from the official website of the U.S. Food and Drug Administration.
3 FDA label for approved potassium chloride from the official website of the U.S. Food and Drug Administration.
4 FDA label for approved lamotrigine from the official website of the U.S. Food and Drug Administration.
5 FDA label for approved cyclobenzaprine from the official website of the U.S. Food and Drug Administration.
6 FDA label for approved naltrexone from the official website of the U.S. Food and Drug Administration.
7 FDA label for approved morphine from the official website of the U.S. Food and Drug Administration.
8 FDA label for approved valproic acid from the official website of the U.S. Food and Drug Administration.
9 FDA label for approved propranolol from the official website of the U.S. Food and Drug Administration.
10 FDA label for approved ropinirole from the official website of the U.S. Food and Drug Administration.
11 FDA label for approved carbamazepine from the official website of the U.S. Food and Drug Administration.
12 FDA label for approved topiramate from the official website of the U.S. Food and Drug Administration.
13 FDA label for approved galantamine from the official website of the U.S. Food and Drug Administration.
14 FDA label for approved diltiazem from the official website of the U.S. Food and Drug Administration.
15 FDA label for approved verapamil from the official website of the U.S. Food and Drug Administration.
16 FDA label for approved isosorbide mononitrate from the official website of the U.S. Food and Drug Administration.
17 FDA label for approved ranitidine from the official website of the U.S. Food and Drug Administration.
18 FDA label for approved rabeprazole from the official website of the U.S. Food and Drug Administration.
19 FDA label for approved sulfasalazine from the official website of the U.S. Food and Drug Administration.
20 The activities of drug inactive ingredients on biological targets. Science. 2020 Jul 24;369(6502):403-413.
21 Novel bioactive molecules from Lentzea violacea strain AS 08 using one strain-many compounds (OSMAC) approach. Bioorg Med Chem Lett. 2017 Jun 1; 27(11):2579-2582.

If you find any error in data or bug in web service, please kindly report it to Dr. Zhang and Dr. Mou.