Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E0MF5O)
DIG Name
Ethyl acrylate
Synonyms    Click to Show/Hide the Synonyms of This DIG
ETHYL ACRYLATE; 140-88-5; Acrylic acid ethyl ester; ethyl prop-2-enoate; Ethyl propenoate; 2-Propenoic acid, ethyl ester; Ethyl 2-propenoate; Ethylacrylaat; Ethylakrylat; Etil acrilato; Acrylic acid, ethyl ester; Aethylacrylat; Etilacrilatului; Carboset 511; Akrylanem etylu; Ethoxycarbonylethylene; Ethyl acrylate, inhibited; Acrylate d'ethyle; Poly(ethyl acrylate); Polyethylacrylate; Acrylic acid, ethyl ester (inhibited); Ethyl acrylate homopolymer; Etilacrilatului [Romanian]; Ethyl acrylate (inhibited); RCRA waste number U113; Ethylester kyseliny akrylove; NCI-C50384; 2-Propenoic Acid Ethyl Ester; 2-Propenoic acid, ethyl ester, homopolymer; Ethyl propenoate, inhibited; NSC 8263; ethyl 2E-propenoate; Ethyl 2-propenoate, homopolymer; Ethyl acrylate polymer; UNII-71E6178C9T; Poly(acrylic acid, ethyl ester); Etilacrilatului(roumanian); CH2=CHCOOC2H5; CHEBI:82327; Ethyl ester of 2-propenoic acid; MFCD00009188; 71E6178C9T; WE(2:0/3:1(2E)); Ethylakrylat [Czech]; Ethylacrylaat [Dutch]; Aethylacrylat [German]; Etil acrilato [Italian]; FEMA Number 2418; Ethyl acrylate (natural); Akrylanem etylu [Polish]; Ethyl acrylate, 99.5%, stabilized; Acrylate d'ethyle [French]; CCRIS 248; FEMA No. 2418; Acrylsaeureaethylester [German]; HSDB 193; EINECS 205-438-8; Ethylester kyseliny akrylove [Czech]; UN1917; RCRA waste no. U113; BRN 0773866; AI3-15734; Acrylic acid ethyl; Poly(ethylacrylate); Acrylic acid-ethyl ester; DSSTox_CID_583; EC 205-438-8; SCHEMBL3180; ACMC-1C25H; DSSTox_RID_75673; DSSTox_GSID_20583; 4-02-00-01460 (Beilstein Handbook Reference); CHEMBL52084; WLN: 2OV1U1; DTXSID4020583; Ethyl acrylate, inhibited [UN1917] [Flammable liquid]; FEMA 2418; FEMA-2418; NSC8263; Ethyl acrylate, analytical standard; AMY40211; BCP06341; EBD44205; NSC-8263; ZINC1586528; Tox21_202513; 7387AF; ANW-42233; BBL011497; LMFA07010505; SBB060348; STL146609; Ethyl Acrylate, stabilized with MEHQ; AKOS005721113; Cyacetacide; Cyanoacetic acid hydrazide; Ethyl Acrylate (stabilized with MEHQ); MCULE-9281713240; NCGC00091041-01; NCGC00260062-01; CAS-140-88-5; VS-02962; Ethyl acrylate, purum, >=99.0% (GC); Propenoic acid,ethyl ester (ethylacrylate); DB-042537; A0143; Ethyl acrylate, >=99.5%, stabilized, FG; FT-0621878; FT-0625767; ST51046544; Ethyl acrylate, SAJ first grade, >=99.0%; C19238; 15471-EP2269995A1; 15471-EP2272837A1; 15471-EP2284169A1; 15471-EP2286811A1; 15471-EP2287161A1; 15471-EP2287162A1; 15471-EP2292592A1; 15471-EP2295406A1; 15471-EP2298746A1; 15471-EP2301939A1; 15471-EP2305219A1; 15471-EP2305672A1; 15471-EP2305683A1; 15471-EP2308838A1; 15471-EP2311823A1; 15471-EP2311831A1; 15471-EP2311839A1; 15471-EP2314584A1; 15471-EP2314589A1; 15471-EP2316837A1; Ethyl Acrylate stabilized with 10 - 20 ppm MEHQ; Q343014; J-007427; PROPENOIC ACID,ETHYL ESTER (ETHYLACRYLATE); Ethyl acrylate, inhibited [UN1917] [Flammable liquid]; F1908-0175; Ethyl acrylate, contains 10-20 ppm MEHQ as inhibitor, 99%
DIG Function
Film/membrane-forming agent; Flavoring agent
PubChem CID
8821
Formula
C5H8O2
Canonical SMILES
CCOC(=O)C=C
InChI
1S/C5H8O2/c1-3-5(6)7-4-2/h3H,1,4H2,2H3
InChIKey
JIGUQPWFLRLWPJ-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=8821"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 100.12 Topological Polar Surface Area 26.3
XlogP 1.3 Complexity 76.1
Heavy Atom Count 7 Rotatable Bond Count 3
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2
Full List of Active Pharmaceutical Ingredients (APIs) Co-administrated with This DIG
       ICD Disease Classification 01 Infectious/parasitic disease Click to Show/Hide
Crofelemer
 API Info
Human immunodeficiency virus infection [ICD-11: 1C60]
 [1]
       ICD Disease Classification 05 Endocrine/nutritional/metabolic disease Click to Show/Hide
Omega-3 carboxylic acid
 API Info
Hypertriglyceridaemia [ICD-11: 5C80]
 [2]
       ICD Disease Classification 08 Nervous system disease Click to Show/Hide
Valproic acid
 API Info
Epilepsy [ICD-11: 8A60]
 [3]
Tizanidine
 API Info
Tic disorder [ICD-11: 8A05]
 [4]
       ICD Disease Classification 11 Circulatory system disease Click to Show/Hide
Diltiazem
 API Info
Essential hypertension [ICD-11: BA00]
 [5]
Nifedipine
 API Info
Angina pectoris [ICD-11: BA40]
 [6]
       ICD Disease Classification 12 Respiratory system disease Click to Show/Hide
Budesonide
 API Info
Allergic rhinitis [ICD-11: CA08]
 [7]
       ICD Disease Classification 15 Musculoskeletal/connective-tissue disease Click to Show/Hide
Flavoxate
 API Info
Knee osteoarthritis [ICD-11: FA01]
 [8]
       ICD Disease Classification 16 Genitourinary system disease Click to Show/Hide
Tolterodine
 API Info
Overactive bladder [ICD-11: GC50]
 [9]
Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
      Other protein families (OPF)
            DBT Name: NFE2-related factor 2 (NRF2) 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 = 5110 nM (estimated based on the structural similarity with CHEMBL2107333 ) [10]
                    Structural Similarity Tanimoto coefficient = 0.837837838
                    Tested Species Homo sapiens (Human)
                    UniProt ID NF2L2_HUMAN
References
1 FDA label for approved crofelemer from the official website of the U.S. Food and Drug Administration.
2 FDA label for approved omega-3 carboxylic acid from the official website of the U.S. Food and Drug Administration.
3 FDA label for approved valproic acid from the official website of the U.S. Food and Drug Administration.
4 FDA label for approved tizanidine from the official website of the U.S. Food and Drug Administration.
5 FDA label for approved diltiazem from the official website of the U.S. Food and Drug Administration.
6 FDA label for approved nifedipine from the official website of the U.S. Food and Drug Administration.
7 FDA label for approved budesonide from the official website of the U.S. Food and Drug Administration.
8 Agents for treatment of overactive bladder: a therapeutic class review. Proc (Bayl Univ Med Cent). 2007 Jul;20(3):307-14.
9 FDA label for approved tolterodine from the official website of the U.S. Food and Drug Administration.
10 A novel chalcone derivative as Nrf2 activator attenuates learning and memory impairment in a scopolamine-induced mouse model. Eur J Med Chem. 2020 Jan 1; 185:111777.

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