General Information of DIG (ID: E0ZW5O)
DIG Name
Glutaral
Synonyms    Click to Show/Hide the Synonyms of This DIG
glutaraldehyde; Pentanedial; Glutaral; 111-30-8; Glutaric dialdehyde; Cidex; 1,5-Pentanedial; Glutardialdehyde; Sonacide; Glutaric aldehyde; Pentane-1,5-dial; Glutaraldehyd; Glutaralum; Glutarol; Ucarcide; Aldesan; Alhydex; Hospex; Glutaric acid dialdehyde; 1,5-Pentanedione; 1,3-Diformylpropane; Gluteraldehyde; Aldesen; Novaruca; Sporicidin; Aldehyd glutarowy; Polyglutaraldehyde; Poly(glutaraldehyde); NCI-C55425; Glutaclean; Sterihyde; Aqucar; Veruca-sep; Relugan GT; Relugan GTW; component of Cidex; Glutarex 28; NSC 13392; Sonacide (TN); Cidex 7; Ucarcide 250; UNII-T3C89M417N; Relugan GT 50; Sterihyde L (TN); Pentanedial, homopolymer; Coldcide-25 microbiocide; MFCD00007025; Glutaral (JAN/USP/INN); Potentiated acid glutaraldehyde; CHEBI:64276; T3C89M417N; 1, 5-Pentanedial; Glutaraldehyde solution, 25% in water; NCGC00091110-01; DSSTox_CID_5355; DSSTox_RID_77761; DSSTox_GSID_25355; Glutaraldehyde Solution, 25%; Caswell No. 468; Glutaraldehyd [Czech]; Glutaraldehyde solution; 1,3-Diformyl propane; Diswart; Gludesin; Glutaralum [INN-Latin]; Glutarol-1,5-pentanedial; Aldehyd glutarowy [Polish]; Glutaral [USAN:INN:JAN]; CAS-111-30-8; CCRIS 3800; HSDB 949; Glutaric dialdehyde, 25 wt.% solution in water; Glutaric dialdehyde, 50 wt.% solution in water; EINECS 203-856-5; EPA Pesticide Chemical Code 043901; BRN 0605390; pentandial; Dioxopentane; Glutural; Ucarset; Verucasep; Glutaraldehyde solution, for electron microscopy, ~25% in H2O; Virsal; Glutaral(usan); Sterihyde L; glutaric dihydride; Glutaral [USAN:USP:INN:JAN]; Glutaric dialdehyde, electron microscopy grade, 25% solution in water, purified; GLUTARALDEHYDE, 25% SOLN; Bactron K31; Ucarcide 225; Glutaraldehyde solution (50% or less); ACMC-1BGTC; pentane-1,5-dialdehyde; Glutaral, INN, USAN; Protectol GDA, GT 50; SCHEMBL836; WLN: VH3VH; EC 203-856-5; Glutaric dialdehyde solution; 4-01-00-03659 (Beilstein Handbook Reference); BIDD:ER0299; Glutaraldehyde Solution, 50%; CHEMBL1235482; DTXSID6025355; AMY3308; Bio1_000462; Bio1_000951; Bio1_001440; NSC13392; STR01121; ZINC1729593; Tox21_111083; Tox21_201742; Tox21_303295; ANW-43543; NSC-13392; STL281872; AKOS008967285; DB03266; MCULE-6802048757; NE10465; Glutaric dialdehyde, 25%sol. In water; Glutaric dialdehyde, 25% sol. in water; NCGC00091110-02; NCGC00091110-03; NCGC00257231-01; NCGC00259291-01; 29257-65-6; I856; Glutaric dialdehyde, 8% solution in water; Glutaraldehyde solution, 25 wt. % in H2O; Glutaraldehyde solution, 50 wt. % in H2O; FT-0626730; G0067; G0068; EN300-18037; C12518; D01120; Glutaraldehyde solution, for synthesis, 25.0%; 49147-EP2270505A1; 49147-EP2280274A2; 49147-EP2282200A2; 49147-EP2287152A2; 49147-EP2287155A1; 49147-EP2298312A1; 49147-EP2301940A1; 49147-EP2308848A1; 49147-EP2311823A1; 49147-EP2372017A1; 49147-EP2377842A1; 49147-EP2377845A1; Glutaraldehyde solution, Grade II, 25% in H2O; Glutaric dialdehyde solution, 50 wt. % in H2O; A802339; Q416475; Glutaraldehyde solution, for in vitro diagnostic use; Q-201162; Glutaric dialdehyde solution, 50 wt. % in H2O, FCC; F2191-0161; Glutaraldehyde solution, SAJ first grade, 20.0-26.0%; Glutaraldehyde solution, technical, ~25% in H2O (2.6 M); Glutaraldehyde solution, technical, ~50% in H2O (5.6 M); Glutaraldehyde solution, 1.2 % (w/v) glutaraldehyde in H2O; Glutaraldehyde solution, for electron microscopy, ~50% in H2O; Glutaraldehyde solution, for electron microscopy, ~8% in H2O; Glutaraldehyde solution, 50% in H2O, suitable for photographic applications; Glutaraldehyde solution, Grade I, 25% in H2O, specially purified for use as an electron microscopy fixative; Glutaraldehyde solution, Grade I, 50% in H2O, specially purified for use as an electron microscopy fixative or other sophisticated use; Glutaraldehyde solution, Grade I, 70% in H2O, specially purified for use as an electron microscopy fixative or other sophisticated use; Glutaraldehyde solution, Grade I, 8% in H2O, specially purified for use as an electron microscopy fixative or other sophisticated use
DIG Function
Antimicrobial preservative
PubChem CID
3485
Formula
C5H8O2
Canonical SMILES
C(CC=O)CC=O
InChI
1S/C5H8O2/c6-4-2-1-3-5-7/h4-5H,1-3H2
InChIKey
SXRSQZLOMIGNAQ-UHFFFAOYSA-N
   Click to Show/Hide the Molecular Data (Structure/Property) of This DIG
Structure
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3D MOL 2D MOL
Physicochemical Properties Molecular Weight 100.12 Topological Polar Surface Area 34.1
XlogP -0.5 Complexity 51.1
Heavy Atom Count 7 Rotatable Bond Count 4
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2
Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
      Transferase (TFase)
            DBT Name: Noradrenaline N-methyltransferase (PNMT) 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 = 345000 nM (estimated based on the structural similarity with CHEMBL18602 ) [1]
                    Structural Similarity Tanimoto coefficient = 0.88
                    Tested Species Bos taurus (Bovine)
                    UniProt ID PNMT_BOVIN
References
1 Importance of the aromatic ring in adrenergic amines. 5. Nonaromatic analogues of phenylethanolamine as inhibitors of phenylethanolamine N-methyltransferase: role of hydrophobic and steric interactions. J Med Chem. 1981 Jan; 24(1):7-12.

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