Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E0B2KS)
DIG Name
Phenol
Synonyms    Click to Show/Hide the Synonyms of This DIG
phenol; 108-95-2; carbolic acid; Hydroxybenzene; Phenic acid; Oxybenzene; Phenylic acid; Benzenol; Monophenol; Phenyl hydrate; Phenylic alcohol; Phenyl hydroxide; PhOH; Monohydroxybenzene; Paoscle; Phenole; Izal; Phenol alcohol; Phenyl alcohol; Phenol, liquefied; Acide carbolique; Fenolo; Carbolsaure; Fenosmolin; Fenosmoline; Phenosmolin; Fenol; Liquid phenol; Carbolic oil; Phenol, pure; Phenol homopolymer; Fenolo [Italian]; Phenole [German]; Benzene, hydroxy-; Rcra waste number U188; Campho-Phenique Gel; Phenic; Carbolsaure [German]; Campho-Phenique Liquid; NCI-C50124; Phenol, molten; Baker's P & S liquid & Ointment; Fenol [Dutch, Polish]; Baker's P and S Liquid and Ointment; Monohydroxy benzene; Un 2812 (solution); UN 2312 (molten); Acide carbolique [French]; UN 1671 (solid); NSC 36808; Campho-Phenique Cold Sore Gel; Anbesol; Phenic alcohol; Liquefied phenol; Synthetic phenol; RCRA waste no. U188; UNII-339NCG44TV; MFCD00002143; UN1671; UN2312; UN2821; AI3-01814; CHEMBL14060; 339NCG44TV; DTXSID5021124; CHEBI:15882; Phenol (or solutions with 5% or more phenol); NSC-36808; Hydroxybenzene solution; Phenol, solid [UN1671] [Poison]; Phenol, molten [UN2312] [Poison]; NCGC00091454-04; Phenol solutions [UN2821] [Poison]; DSSTox_CID_1124; Phenol, >=99.0%; Phenol, 99%, extra pure; DSSTox_RID_75955; Phenol, sulfurated; DSSTox_GSID_21124; 27073-41-2; Phenol [JAN]; Caswell No. 649; phenylalcohol; hydroxy benzene; Phenol 100 microg/mL in Methanol; Phenol, liquid; Phenol, solid; Baker's p and s; CAS-108-95-2; CCRIS 504; FEMA No. 3223; HSDB 113; (14C)Phenol; Phenol [USP:JAN]; PHENOL (2,3,4,5,6-D5); Phenol, 99+%, for biochemistry, loose crystals; EINECS 203-632-7; EPA Pesticide Chemical Code 064001; Phenol, 99.5%, extra pure, loose crystals, unstabilized; Benzophenol; Carbolsaeure; Karbolsaeure; acide phenique; Hydroxy-benzene; phenol group; Phenol solution; Phenol liquid; Phenol molten; Phenol solutions; Phenol synthetic; Phenolated water; Pandy's reagent; Liquified Phenol; Carbolicum acidum; Cepastat lozenges; Phenol, labeled with carbon-14; Phenol (liquid); 2-phenyl alcohol; Phenol, synthetic; Phenol, ultrapure; Phenol ACS grade; EINECS 262-972-4; Liquefied phenol BP; Paoscle (TN); Carbolic acid liquid; Phenol polymer-bound; Phenol (TN); Phenol,(S); Phenol, ACS reagent; Carbolic acid, liquid; PHENOL-OD; Phenol-3,5-d2; 1ai7; 1li2; 4i7l; Liquefied phenol (TN); Phenol (JP17/USP); Phenol, detached crystals; Phenol, >=99%; WLN: QR; ACMC-1CE2K; Liquefied phenol (JP17); bmse000290; bmse010026; C6H5OH; Fenol(DUTCH, POLISH); EC 203-632-7; PHENOL, 80% in ethanol; Phenol, LR, >=99%; 61788-41-8; MLS001065591; Phenol, for molecular biology; BIDD:ER0293; Phenol for disinfection (TN); Phenol, natural, 97%, FG; Phenol, 90% aqueous solution; PHENOL-[1-13C]; Cuticura pain relieving ointment; Phenol, AR, >=99.5%; BDBM26187; Phenol for disinfection (JP17); Phenolated water for disinfection; Salicylic acid related compound c; 3f39; Phenol 10 microg/mL in Methanol; Phenol solution, 1.0 M in THF; ENT-1814; NSC36808; ZINC5133329; Tox21_113463; Tox21_201639; Tox21_300042; ANW-15995; BBL019774; Phenol 5000 microg/mL in Methanol; phenol;phenol [jan];phenol, pure;phenol phenol [jan] phenol, pure; STL194294; AKOS000119025; Tox21_113463_1; DB03255; MCULE-9943948107; NA 2821; Phenol, BioXtra, >=99.5% (GC); Phenol, SAJ first grade, >=98.0%; UN 1671; UN 2312; UN 2821; Phenol, BP grade 80% aqueous solution; NCGC00091454-01; NCGC00091454-02; NCGC00091454-03; NCGC00091454-05; NCGC00091454-06; NCGC00091454-07; NCGC00254019-01; NCGC00259188-01; Phenol solution, 1 M in dichloromethane; Phenol, JIS special grade, >=99.0%; 63496-48-0; 73607-76-8; AM802906; BP-30160; SMR000568492; Phenol, PESTANAL(R), analytical standard; Liquified Phenol (contains 7-10 % water); 582-EP2269975A2; 582-EP2269977A2; 582-EP2269997A2; 582-EP2270003A1; 582-EP2270101A1; 582-EP2270113A1; 582-EP2272813A2; 582-EP2272817A1; 582-EP2272822A1; 582-EP2272849A1; 582-EP2272935A1; 582-EP2272972A1; 582-EP2272973A1; 582-EP2274983A1; 582-EP2275105A1; 582-EP2275395A2; 582-EP2275403A1; 582-EP2275404A1; 582-EP2275411A2; 582-EP2275415A2; 582-EP2275420A1; 582-EP2277565A2; 582-EP2277566A2; 582-EP2277567A1; 582-EP2277568A2; 582-EP2277569A2; 582-EP2277570A2; 582-EP2277867A2; 582-EP2277872A1; 582-EP2277879A1; 582-EP2277881A1; 582-EP2279750A1; 582-EP2280001A1; 582-EP2280003A2; 582-EP2280004A1; 582-EP2280006A1; 582-EP2280010A2; 582-EP2280012A2; 582-EP2280020A1; 582-EP2280021A1; 582-EP2281817A1; 582-EP2281819A1; 582-EP2284146A2; 582-EP2284147A2; 582-EP2284148A1; 582-EP2284157A1; 582-EP2284160A1; 582-EP2284165A1; 582-EP2284169A1; 582-EP2284178A2; 582-EP2286811A1; 582-EP2286812A1; 582-EP2287158A1; 582-EP2287161A1; 582-EP2287162A1; 582-EP2287165A2; 582-EP2287166A2; 582-EP2287167A1; 582-EP2289509A2; 582-EP2289868A1; 582-EP2289879A1; 582-EP2289883A1; 582-EP2289891A2; 582-EP2289892A1; 582-EP2289896A1; 582-EP2289965A1; 582-EP2292280A1; 582-EP2292597A1; 582-EP2292608A1; 582-EP2292620A2; 582-EP2295399A2; 582-EP2295411A1; 582-EP2295424A1; 582-EP2295426A1; 582-EP2295427A1; 582-EP2295428A2; 582-EP2295429A1; 582-EP2295434A2; 582-EP2295437A1; 582-EP2295438A1; 582-EP2298734A2; 582-EP2298742A1; 582-EP2298744A2; 582-EP2298750A1; 582-EP2298753A1; 582-EP2298758A1; 582-EP2298759A1; 582-EP2298775A1; 582-EP2298776A1; 582-EP2298778A1; 582-EP2301536A1; 582-EP2301538A1; 582-EP2301919A1; 582-EP2301924A1; 582-EP2301926A1; 582-EP2301929A1; 582-EP2301935A1; 582-EP2301937A1; 582-EP2301983A1; 582-EP2302015A1; 582-EP2305033A1; 582-EP2305243A1; 582-EP2305625A1; 582-EP2305627A1; 582-EP2305633A1; 582-EP2305640A2; 582-EP2305648A1; 582-EP2305649A1; 582-EP2305662A1; 582-EP2305664A1; 582-EP2305668A1; 582-EP2305673A1; 582-EP2305674A1; 582-EP2305679A1; 582-EP2305684A1; 582-EP2305685A1; 582-EP2305687A1; 582-EP2305689A1; 582-EP2305695A2; 582-EP2305696A2; 582-EP2305697A2; 582-EP2305698A2; 582-EP2305808A1; 582-EP2308471A1; 582-EP2308510A1; 582-EP2308838A1; 582-EP2308840A1; 582-EP2308848A1; 582-EP2308861A1; 582-EP2308865A1; 582-EP2308872A1; 582-EP2308873A1; 582-EP2308875A1; 582-EP2308877A1; 582-EP2308878A2; 582-EP2308880A1; 582-EP2311455A1; 582-EP2311464A1; 582-EP2311494A1; 582-EP2311808A1; 582-EP2311811A1; 582-EP2311814A1; 582-EP2311822A1; 582-EP2311824A1; 582-EP2311829A1; 582-EP2311831A1; 582-EP2311834A1; 582-EP2314295A1; 582-EP2314571A2; 582-EP2314576A1; 582-EP2314579A1; 582-EP2314588A1; 582-EP2315502A1; 582-EP2316452A1; 582-EP2316470A2; 582-EP2316824A1; 582-EP2316829A1; 582-EP2316831A1; 582-EP2316832A1; 582-EP2316833A1; 582-EP2316836A1; 582-EP2316937A1; 582-EP2316974A1; 582-EP2371806A1; 582-EP2371807A1; 582-EP2371811A2; 582-EP2372017A1; 582-EP2374784A1; 582-EP2374785A1; 582-EP2377842A1; 582-EP2380872A1; FT-0645154; FT-0673707; FT-0693833; H2391; P1610; Phenol stock solution, 100 mg/dL, standard; C00146; C15584; D00033; Phenol, unstabilized, ReagentPlus(R), >=99%; 78049-EP2272846A1; 78049-EP2277868A1; 78049-EP2277869A1; 78049-EP2277870A1; 78049-EP2287158A1; 78049-EP2292608A1; 78049-EP2308866A1; 78049-EP2371806A1; 78049-EP2371807A1; 97694-EP2305662A1; Phenol, p.a., ACS reagent, 99.5-100.5%; Phenol, >=96.0% (calc. on dry substance, T); Q130336; J-610001; Phenol, for molecular biology, ~90% (T), liquid; F1908-0106; Phenol, unstabilized, purified by redistillation, >=99%; Phenol, BioUltra, for molecular biology, >=99.5% (GC); Phenol, United States Pharmacopeia (USP) Reference Standard; UNII-3JYG22FD73 component ISWSIDIOOBJBQZ-UHFFFAOYSA-N; Liquified Phenol, meets USP testing specifications, >=89.0%; Phenol, BioUltra, for molecular biology, TE-saturated, ~73% (T); Phenol solution, 5000 mug/mL in methanol, certified reference material; Phenol solution, certified reference material, 500 mug/mL in methanol; Phenol, puriss. p.a., ACS reagent, reag. Ph. Eur., 99.0-100.5%; p-Hydroxy polystyrene (100-200 mesh, 0.5-1.5 mmol/g)@CRLFMFCD03703209; Phenol solution, 100 mug/mL in acetonitrile, PESTANAL(R), analytical standard; Phenol, contains hypophosphorous as stabilizer, loose crystals, ACS reagent, >=99.0%; Phenol, puriss., meets analytical specification of Ph. Eur., BP, USP, 99.5-100.5% (GC); 29809-11-8; Phenol solution, BioReagent, Equilibrated with 10??mM Tris HCl, pH??8.0, 1??mM EDTA, for molecular biology; Phenol solution, BioReagent, Saturated with 0.1 M citrate buffer, pH??4.3 +/- 0.2, for molecular biology; Phenol water saturated sol., for molecular biology, DNAse, RNAse, Protease free, stab., free of oxides; Phenol, polymer-bound, 100-200 mesh, extent of labeling: 0.5-1.5 mmol/g loading, 1 % cross-linked with divinylbenzene; Phenol, puriss., meets analytical specification of Ph. Eur., BP, USP, >=99.5% (GC), crystalline (detached)
DIG Function
Antimicrobial preservative
PubChem CID
996
Formula
C6H6O
Canonical SMILES
C1=CC=C(C=C1)O
InChI
1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
InChIKey
ISWSIDIOOBJBQZ-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=996"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 94.11 Topological Polar Surface Area 20.2
XlogP 1.5 Complexity 46.1
Heavy Atom Count 7 Rotatable Bond Count 0
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 1
Full List of Active Pharmaceutical Ingredients (APIs) Co-administrated with This DIG
       ICD Disease Classification 13 Digestive system disease Click to Show/Hide
Ranitidine
 API Info
Gastric ulcer [ICD-11: DA60]
 [1]
Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
      Lyase/isomerase/ligase (L/I/G)
            DBT Name: Carbonic anhydrase XIII (CA13) 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 Ki > 500000 nM (tested by experiment) [2]
                    Tested Species Mus musculus (Mouse)
                    UniProt ID CAH13_MOUSE
            DBT Name: Carbonic anhydrase III (CA3) 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 Ki = 2700 nM (tested by experiment) [3]
                    Tested Species Homo sapiens (Human)
                    UniProt ID CAH3_HUMAN
            DBT Name: Carbonic anhydrase VA (CA5A) 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 Ki = 218000 nM (tested by experiment) [2]
                    Tested Species Homo sapiens (Human)
                    UniProt ID CAH5A_HUMAN
            DBT Name: Carbonic anhydrase VB (CA5B) 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 Ki > 500000 nM (tested by experiment) [2]
                    Tested Species Homo sapiens (Human)
                    UniProt ID CAH5B_HUMAN
            DBT Name: Carbonic anhydrase I (CA1) 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 Ki = 10100 nM (tested by experiment) [4]
                    Tested Species Homo sapiens (Human)
                    UniProt ID CAH1_HUMAN
            DBT Name: Carbonic anhydrase II (CA2) 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 Ki = 5500 nM (tested by experiment) [3]
                    Tested Species Homo sapiens (Human)
                    UniProt ID CAH2_HUMAN
            DBT Name: Carbonic anhydrase IV (CA4) 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 Ki = 9500 nM (tested by experiment) [5]
                    Tested Species Homo sapiens (Human)
                    UniProt ID CAH4_HUMAN
            DBT Name: Carbonic anhydrase IX (CA9) 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 Ki = 8800 nM (tested by experiment) [6]
                    Tested Species Homo sapiens (Human)
                    UniProt ID CAH9_HUMAN
            DBT Name: Carbonic anhydrase VI (CA6) 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 Ki = 208000 nM (tested by experiment) [7]
                    Tested Species Homo sapiens (Human)
                    UniProt ID CAH6_HUMAN
            DBT Name: Carbonic anhydrase VII (CA7) 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 Ki > 500000 nM (tested by experiment) [2]
                    Tested Species Homo sapiens (Human)
                    UniProt ID CAH7_HUMAN
            DBT Name: Carbonic anhydrase XII (CA12) 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 Ki = 9200 nM (tested by experiment) [8]
                    Tested Species Homo sapiens (Human)
                    UniProt ID CAH12_HUMAN
            DBT Name: Carbonic anhydrase XIV (CA14) 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 Ki = 11500 nM (tested by experiment) [3]
                    Tested Species Homo sapiens (Human)
                    UniProt ID CAH14_HUMAN
References
1 FDA label for approved ranitidine from the official website of the U.S. Food and Drug Administration.
2 Polyamines inhibit carbonic anhydrases by anchoring to the zinc-coordinated water molecule. J Med Chem. 2010 Aug 12; 53(15):5511-22.
3 Synthesis of C-cinnamoyl glycosides and their inhibitory activity against mammalian carbonic anhydrases. Bioorg Med Chem. 2013 Mar 15; 21(6):1489-94.
4 Natural product-based phenols as novel probes for mycobacterial and fungal carbonic anhydrases. J Med Chem. 2011 Mar 24; 54(6):1682-92.
5 Carbonic anhydrase inhibitors. Antioxidant polyphenols effectively inhibit mammalian isoforms I-XV. Bioorg Med Chem Lett. 2010 Sep 1; 20(17):5050-3.
6 Salen and tetrahydrosalen derivatives act as effective inhibitors of the tumor-associated carbonic anhydrase XII--a new scaffold for designing isoform-selective inhibitors. Bioorg Med Chem Lett. 2013 Dec 15; 23(24):6759-63.
7 Carbonic anhydrase inhibitors. Inhibition of mammalian isoforms I-XIV with a series of natural product polyphenols and phenolic acids. Bioorg Med Chem. 2010 Mar 15; 18(6):2159-2164.
8 Kinetic and docking studies of phenol-based inhibitors of carbonic anhydrase isoforms I, II, IX and XII evidence a new binding mode within the enzyme active site. Bioorg Med Chem. 2011 Feb 15; 19(4):1381-9.

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