Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E0G0VL)
DIG Name
Maleic acid
Synonyms    Click to Show/Hide the Synonyms of This DIG
maleic acid; 110-16-7; cis-butenedioic acid; Toxilic acid; Maleinic acid; Malenic acid; (2Z)-but-2-enedioic acid; 2-Butenedioic acid (2Z)-; 2-Butenedioic acid (Z)-; maleate; cis-1,2-Ethylenedicarboxylic acid; Butenedioic acid, (Z)-; (Z)-Butenedioic acid; 2-Butenedioic acid, (Z)-; Kyselina maleinova; (Z)-2-Butenedioic acid; 1,2-Ethylenedicarboxylic acid, (Z); CCRIS 1115; HSDB 666; cis-2-Butenedioic acid; UNII-91XW058U2C; Maleic acid, 99%; AI3-01002; MFCD00063177; CHEBI:18300; 91XW058U2C; DSSTox_CID_1517; (2Z)but-2-enedioic acid; DSSTox_RID_76194; DSSTox_GSID_21517; Malezid CM; H2male; Kyselina maleinova [Czech]; CAS-110-16-7; cis-but-2-enedioic acid; Maleic acid [NF]; EINECS 203-742-5; NA2215; NSC 25940; Scotchbond Multipurpose Etchant; BRN 0605762; maleic-acid; maleic acid group; 1ahy; 1tok; NCGC00091192-02; 26099-09-2; MAE; bis-hydrogen maleate; Maleic acid [NA2215] [Corrosive]; 2-Butenedioic acid (2Z)-, monocastor oil alkyl esters; Maleic acid (8CI); PubChem21784; Maleic anhydride, mono(castor oil) ester; Butenedioic acid,(Z)-; SCHEMBL613; bmse000212; EC 203-742-5; WLN: QV1U1VQ-C; 4-02-00-02199 (Beilstein Handbook Reference); 68307-91-5; MLS002153468; 2-butenedioic acid, (2Z)-; (2Z)-2-Butenedioic acid #; CHEMBL539648; GTPL9630; DTXSID8021517; 1-(o-Tolyl)piperazinehydrochloride; HMS2236F09; Maleic acid, for synthesis, 99%; 2-Butenedioic acid (Z)- (9CI); HY-Y0367; NSC25940; STR03481; Tox21_113105; Tox21_202193; Tox21_303045; 1,2-Ethylenedicarboxylic acid, cis-; 2-Butenedioic acid (2Z)- (9CI); NSC-25940; s3086; SBB040567; ZINC12358683; AKOS000268822; Tox21_113105_1; DB04299; Maleic acid [NA2215] [Corrosive]; NCGC00090970-01; NCGC00090970-02; NCGC00090970-03; NCGC00257215-01; NCGC00259742-01; Maleic acid, tested according to Ph.Eur.; SMR001230824; 102-EP2269610A2; 102-EP2269983A1; 102-EP2269984A1; 102-EP2269988A2; 102-EP2269989A1; 102-EP2269990A1; 102-EP2270002A1; 102-EP2270003A1; 102-EP2270006A1; 102-EP2270008A1; 102-EP2270011A1; 102-EP2270505A1; 102-EP2272537A2; 102-EP2272822A1; 102-EP2272827A1; 102-EP2272834A1; 102-EP2272849A1; 102-EP2275401A1; 102-EP2275411A2; 102-EP2275412A1; 102-EP2275413A1; 102-EP2275414A1; 102-EP2277507A1; 102-EP2277848A1; 102-EP2277858A1; 102-EP2277866A1; 102-EP2277867A2; 102-EP2280003A2; 102-EP2280006A1; 102-EP2280009A1; 102-EP2280010A2; 102-EP2280012A2; 102-EP2281559A1; 102-EP2281563A1; 102-EP2281819A1; 102-EP2281823A2; 102-EP2284149A1; 102-EP2284160A1; 102-EP2284169A1; 102-EP2284178A2; 102-EP2284179A2; 102-EP2286795A1; 102-EP2287147A2; 102-EP2287153A1; 102-EP2287155A1; 102-EP2287156A1; 102-EP2287160A1; 102-EP2287161A1; 102-EP2287162A1; 102-EP2289510A1; 102-EP2289518A1; 102-EP2289879A1; 102-EP2289883A1; 102-EP2289890A1; 102-EP2289894A2; 102-EP2292227A2; 102-EP2292228A1; 102-EP2292231A1; 102-EP2292234A1; 102-EP2292592A1; 102-EP2292611A1; 102-EP2292615A1; 102-EP2292617A1; 102-EP2292619A1; 102-EP2295401A2; 102-EP2295402A2; 102-EP2295406A1; 102-EP2295415A1; 102-EP2295416A2; 102-EP2295418A1; 102-EP2295424A1; 102-EP2295426A1; 102-EP2295427A1; 102-EP2295433A2; 102-EP2295437A1; 102-EP2298731A1; 102-EP2298734A2; 102-EP2298735A1; 102-EP2298746A1; 102-EP2298747A1; 102-EP2298748A2; 102-EP2298755A1; 102-EP2298757A2; 102-EP2298758A1; 102-EP2298759A1; 102-EP2298767A1; 102-EP2298772A1; 102-EP2298775A1; 102-EP2298779A1; 102-EP2301544A1; 102-EP2301922A1; 102-EP2301923A1; 102-EP2301924A1; 102-EP2301928A1; 102-EP2301929A1; 102-EP2301931A1; 102-EP2301933A1; 102-EP2301935A1; 102-EP2301937A1; 102-EP2301940A1; 102-EP2302003A1; 102-EP2305219A1; 102-EP2305248A1; 102-EP2305257A1; 102-EP2305633A1; 102-EP2305636A1; 102-EP2305641A1; 102-EP2305646A1; 102-EP2305651A1; 102-EP2305653A1; 102-EP2305655A2; 102-EP2305657A2; 102-EP2305659A1; 102-EP2305663A1; 102-EP2305664A1; 102-EP2305669A1; 102-EP2305672A1; 102-EP2305673A1; 102-EP2305674A1; 102-EP2305675A1; 102-EP2305679A1; 102-EP2305680A2; 102-EP2308839A1; 102-EP2308849A1; 102-EP2308850A1; 102-EP2308851A1; 102-EP2308854A1; 102-EP2308857A1; 102-EP2308861A1; 102-EP2308869A1; 102-EP2308871A1; 102-EP2308872A1; 102-EP2308873A1; 102-EP2308875A1; 102-EP2309584A1; 102-EP2311801A1; 102-EP2311802A1; 102-EP2311803A1; 102-EP2311804A2; 102-EP2311807A1; 102-EP2311808A1; 102-EP2311809A1; 102-EP2311810A1; 102-EP2311811A1; 102-EP2311818A1; 102-EP2311824A1; 102-EP2311827A1; 102-EP2311829A1; 102-EP2311831A1; 102-EP2311834A1; 102-EP2311837A1; 102-EP2311842A2; 102-EP2311850A1; 102-EP2314295A1; 102-EP2314574A1; 102-EP2314575A1; 102-EP2314576A1; 102-EP2314586A1; 102-EP2314587A1; 102-EP2314588A1; 102-EP2314593A1; 102-EP2316457A1; 102-EP2316458A1; 102-EP2316459A1; 102-EP2316825A1; 102-EP2316826A1; 102-EP2316827A1; 102-EP2316828A1; 102-EP2316829A1; 102-EP2316831A1; 102-EP2316834A1; 102-EP2316835A1; 102-EP2316836A1; 102-EP2371805A1; 102-EP2371814A1; 102-EP2372017A1; 102-EP2374454A1; 102-EP2374780A1; 102-EP2374781A1; 102-EP2380874A2; CS-0015079; M0006; Maleic acid, SAJ special grade, >=99.0%; Maleic acid, Vetec(TM) reagent grade, 98%; ST50213949; 1, (Z); C01384; Q42038; Maleic acid, ReagentPlus(R), >=99.0% (HPLC); J-521667; J-610085; F2191-0240; 3B685B85-C1F3-4E32-9DBC-3854162A8DE1; Maleic acid, European Pharmacopoeia (EP) Reference Standard; Maleic acid, Standard for quantitative NMR, TraceCERT(R); Maleic acid, United States Pharmacopeia (USP) Reference Standard; Maleic acid, Pharmaceutical Secondary Standard; Certified Reference Material
DIG Function
Acidulant; Buffering agent
PubChem CID
444266
Formula
C4H4O4
Canonical SMILES
C(=C\\C(=O)O)\\C(=O)O
InChI
1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1-
InChIKey
VZCYOOQTPOCHFL-UPHRSURJSA-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=444266"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 116.07 Topological Polar Surface Area 74.6
XlogP -0.3 Complexity 119
Heavy Atom Count 8 Rotatable Bond Count 2
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4
Full List of Active Pharmaceutical Ingredients (APIs) Co-administrated with This DIG
       ICD Disease Classification 05 Endocrine/nutritional/metabolic disease Click to Show/Hide
Bromocriptine
 API Info
Diabetes mellitus [ICD-11: 5A10]
 [1]
       ICD Disease Classification 06 Mental/behavioural/neurodevelopmental disorder Click to Show/Hide
Bupropion
 API Info
Nicotine dependence [ICD-11: 6C4A]
 [2]
       ICD Disease Classification 08 Nervous system disease Click to Show/Hide
Methylergonovine
 API Info
Migraine [ICD-11: 8A80]
 [3]
       ICD Disease Classification 11 Circulatory system disease Click to Show/Hide
Enalapril
 API Info
Essential hypertension [ICD-11: BA00]
 [4]
Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
      Oxidoreductase (ORase)
            DBT Name: D-amino acid oxidase (DAAO) 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 = 357000 nM (estimated based on the structural similarity with CHEMBL1213528 ) [5]
                    Structural Similarity Tanimoto coefficient = 0.911764706
                    Tested Species Homo sapiens (Human)
                    UniProt ID OXDA_HUMAN
References
1 FDA label for approved bromocriptine from the official website of the U.S. Food and Drug Administration.
2 FDA label for approved bupropion from the official website of the U.S. Food and Drug Administration.
3 FDA label for approved methylergonovine from the official website of the U.S. Food and Drug Administration.
4 FDA label for approved enalapril from the official website of the U.S. Food and Drug Administration.
5 Identification of novel D-amino acid oxidase inhibitors by in silico screening and their functional characterization in vitro. J Med Chem. 2013 Mar 14; 56(5):1894-907.

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