Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E0H0OT)
DIG Name
Acetic anhydride
Synonyms    Click to Show/Hide the Synonyms of This DIG
ACETIC ANHYDRIDE; Acetyl acetate; 108-24-7; Acetanhydride; Ethanoic anhydride; Acetic oxide; Acetic acid, anhydride; Acetyl ether; Acetyl oxide; acetic acid anhydride; Acetyl anhydride; Anhydride acetique; Anidride acetica; Octowy bezwodnik; Azijnzuuranhydride; Essigsaeureanhydrid; Ethanoic anhydrate; Anhydrid kyseliny octove; Ac2O; (CH3CO)2O; Acetic acid, 1,1'-anhydride; HSDB 233; UNII-2E48G1QI9Q; 2E48G1QI9Q; CHEBI:36610; MFCD00008705; acetic acid acetyl ester; Caswell No. 003A; Octowy bezwodnik [Polish]; Azijnzuuranhydride [Dutch]; ethanoyl ethanoate; Anidride acetica [Italian]; Anhydride acetique [French]; Essigsaeureanhydrid [German]; CCRIS 688; Acetic-1,2-13C2 acid,1,1'-anhydride; Anhydrid kyseliny octove [Czech]; EINECS 203-564-8; UN1715; EPA Pesticide Chemical Code 044007; acetanhydrid; BRN 0385737; acetic anhydrid; actic anhydride; diacetyl oxide; acetic-anhydride; acetic, anhydride; AcOAc; Acetyltrimethyl-Silane; 90980-78-2; acetic acetic anhydride; Acetic anhydride [UN1715] [Corrosive]; CAPPING REAGENT A; Acetyl ether Acetyl oxide; (MeCO)2O; DSSTox_CID_4395; SCHEMBL523; Acetic anhydride ACS grade; EC 203-564-8; acetic acid-acetic anhydride; (Ac)2O; Acetic anhydride, >=99%; Acetic anhydride, 99.5%; DSSTox_RID_77387; DSSTox_GSID_24395; Acetic Anhydride Reagent ACS; 4-02-00-00386 (Beilstein Handbook Reference); MLS002454384; CHEMBL1305819; DTXSID0024395; HMS3039J03; BCP20665; ZINC8585917; Acetic anhydride, JIS special grade; C(C)(=O)OC(=O)[C]; Tox21_200278; STL264203; AKOS015915487; Acetic anhydride, 99+%, for analysis; MCULE-9184217748; UN 1715; NCGC00091802-01; NCGC00091802-02; NCGC00257832-01; ACETIC ANHYDRIDE (1,1'-13C2); Acetic anhydride, reagent grade, >=98%; BP-24367; BP-31054; CAS-108-24-7; SMR001372001; Acetic anhydride [UN1715] [Corrosive]; Acetic anhydride, ACS reagent, >=98.0%; Acetic anhydride, ReagentPlus(R), >=99%; 4161-EP0930075A1; 4161-EP2269978A2; 4161-EP2269985A2; 4161-EP2269991A2; 4161-EP2269992A1; 4161-EP2269993A1; 4161-EP2269998A2; 4161-EP2270002A1; 4161-EP2270003A1; 4161-EP2270006A1; 4161-EP2270008A1; 4161-EP2270010A1; 4161-EP2270011A1; 4161-EP2270015A1; 4161-EP2270114A1; 4161-EP2272822A1; 4161-EP2272841A1; 4161-EP2272843A1; 4161-EP2272972A1; 4161-EP2272973A1; 4161-EP2274983A1; 4161-EP2275105A1; 4161-EP2275404A1; 4161-EP2277848A1; 4161-EP2277872A1; 4161-EP2277878A1; 4161-EP2277880A1; 4161-EP2280000A1; 4161-EP2280012A2; 4161-EP2281563A1; 4161-EP2281817A1; 4161-EP2281818A1; 4161-EP2284150A2; 4161-EP2284151A2; 4161-EP2284152A2; 4161-EP2284153A2; 4161-EP2284155A2; 4161-EP2284156A2; 4161-EP2284157A1; 4161-EP2284159A1; 4161-EP2284160A1; 4161-EP2284164A2; 4161-EP2284165A1; 4161-EP2284169A1; 4161-EP2284174A1; 4161-EP2287140A2; 4161-EP2287148A2; 4161-EP2287150A2; 4161-EP2287153A1; 4161-EP2287161A1; 4161-EP2287162A1; 4161-EP2287165A2; 4161-EP2287166A2; 4161-EP2287167A1; 4161-EP2289868A1; 4161-EP2289885A1; 4161-EP2289887A2; 4161-EP2289888A2; 4161-EP2292228A1; 4161-EP2292576A2; 4161-EP2292610A1; 4161-EP2292615A1; 4161-EP2292617A1; 4161-EP2292620A2; 4161-EP2292624A1; 4161-EP2295055A2; 4161-EP2295402A2; 4161-EP2295406A1; 4161-EP2295407A1; 4161-EP2295411A1; 4161-EP2295414A1; 4161-EP2295415A1; 4161-EP2295419A2; 4161-EP2295423A1; 4161-EP2295437A1; 4161-EP2295439A1; 4161-EP2295441A2; 4161-EP2295503A1; 4161-EP2298312A1; 4161-EP2298731A1; 4161-EP2298735A1; 4161-EP2298736A1; 4161-EP2298743A1; 4161-EP2298746A1; 4161-EP2298766A1; 4161-EP2298768A1; 4161-EP2298772A1; 4161-EP2298775A1; 4161-EP2298778A1; 4161-EP2298780A1; 4161-EP2301911A1; 4161-EP2301922A1; 4161-EP2301928A1; 4161-EP2301933A1; 4161-EP2305219A1; 4161-EP2305250A1; 4161-EP2305633A1; 4161-EP2305637A2; 4161-EP2305649A1; 4161-EP2305651A1; 4161-EP2305655A2; 4161-EP2305657A2; 4161-EP2305663A1; 4161-EP2305666A1; 4161-EP2305672A1; 4161-EP2305673A1; 4161-EP2305675A1; 4161-EP2305677A1; 4161-EP2305682A1; 4161-EP2305684A1; 4161-EP2305687A1; 4161-EP2305689A1; 4161-EP2305808A1; 4161-EP2308479A2; 4161-EP2308510A1; 4161-EP2308828A2; 4161-EP2308833A2; 4161-EP2308838A1; 4161-EP2308839A1; 4161-EP2308841A2; 4161-EP2308854A1; 4161-EP2308861A1; 4161-EP2308873A1; 4161-EP2308879A1; 4161-EP2308880A1; 4161-EP2311453A1; 4161-EP2311464A1; 4161-EP2311494A1; 4161-EP2311804A2; 4161-EP2311806A2; 4161-EP2311808A1; 4161-EP2311814A1; 4161-EP2311824A1; 4161-EP2311827A1; 4161-EP2311829A1; 4161-EP2311834A1; 4161-EP2311842A2; 4161-EP2314295A1; 4161-EP2314576A1; 4161-EP2314585A1; 4161-EP2314590A1; 4161-EP2314593A1; 4161-EP2316825A1; 4161-EP2316826A1; 4161-EP2316827A1; 4161-EP2316836A1; 4161-EP2371805A1; 4161-EP2371831A1; 4161-EP2374454A1; 4161-EP2374786A1; 4459-EP2270003A1; 4459-EP2283898A1; 4459-EP2298746A1; 4459-EP2305647A1; 4459-EP2314576A1; 4459-EP2314586A1; Acetic anhydride, p.a., ACS reagent, 97.0%; Acetic anhydride, SAJ first grade, >=93.0%; 12410-EP2270010A1; 12410-EP2270015A1; 12410-EP2272839A1; 12410-EP2272840A1; 12410-EP2275413A1; 12410-EP2295410A1; 12410-EP2295441A2; 12410-EP2298776A1; 12410-EP2298780A1; 12410-EP2298783A1; 12410-EP2301930A1; 12410-EP2305679A1; 12410-EP2305682A1; 12410-EP2305808A1; 12410-EP2308861A1; 12410-EP2308879A1; 12410-EP2311829A1; 12410-EP2311842A2; 12410-EP2314295A1; 12410-EP2316974A1; 72709-EP2292624A1; 72709-EP2308492A1; A801828; Acetic anhydride, Lonza quality, >=99.5% (GC); Q407775; Acetic anhydride, for GC derivatization, >=99.0%; Acetic anhydride, p.a., ACS reagent, reag. ISO, reag. Ph. Eur., 99.0%; Acetic anhydride, puriss. p.a., ACS reagent, reag. ISO, reag. Ph. Eur., >=99% (GC)
DIG Function
Acidulant; Buffering agent
PubChem CID
7918
Formula
C4H6O3
Canonical SMILES
CC(=O)OC(=O)C
InChI
1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3
InChIKey
WFDIJRYMOXRFFG-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 102.09 Topological Polar Surface Area 43.4
XlogP -0.1 Complexity 83.1
Heavy Atom Count 7 Rotatable Bond Count 2
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3
Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
      G-protein coupled receptor (GPCR)
            DBT Name: Free fatty acid receptor 3 (FFAR3) 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 = 12000 nM (estimated based on the structural similarity with CHEMBL539 ) [1]
                    Structural Similarity Tanimoto coefficient = 0.761904762
                    Tested Species Homo sapiens (Human)
                    UniProt ID FFAR3_HUMAN
References
1 Microbiota-Host Transgenomic Metabolism, Bioactive Molecules from the Inside. J Med Chem. 2018 Jan 11; 61(1):47-61.

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