Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E0KU0Y)
DIG Name
Cetrimonium bromide
Synonyms    Click to Show/Hide the Synonyms of This DIG
Cetrimonium bromide; 57-09-0; Hexadecyltrimethylammonium bromide; Cetyltrimethylammonium bromide; CTAB; Centimide; CETAB; Bromat; Ctmab; Cee dee; Hexadecyl trimethyl ammonium bromide; Trimethylcetylammonium bromide; Cetyl trimethyl ammonium bromide; Cetaflon; Cetavlon; Lissolamine; Pollacid; Quamonium; Suticide; Cetarol; Micol; Cetrimide bp; Lissolamine A; Cetavlon bromide; Lissolamin V; N-Cetyltrimethylammonium bromide; Cetrimonium (bromide); Cycloton V; Cirrasol OD; Acetoquat CTAB; Softex KW; Cetrimonii bromidum; Hexadecyltrimethylammoniumbromide; Bromuro de cetrimonio; Trimethylhexadecylammonium bromide; Bromure de cetrimonium; N-HEXADECYLTRIMETHYLAMMONIUM BROMIDE; N,N,N-trimethylhexadecan-1-aminium bromide; (1-Hexadecyl)trimethylammonium bromide; Palmityltrimethyl ammonium bromide; N,N,N-Trimethylcetylammonium bromide; 1-Hexadecanaminium, N,N,N-trimethyl-, bromide; N,N,N-Trimethyl-1-hexadecanaminium bromide; UNII-L64N7M9BWR; N-Hexadecyl-N,N,N-trimethylammonium bromide; Cetrimonium Bromide (CTAB); MFCD00011772; CHEBI:3567; Palmityltrimethylammonium bromide; 1-Hexadecanaminium, N,N,N-trimethyl-, bromide (1:1); hexadecyl(trimethyl)azanium;bromide; 1-Hexadecyltrimethylammonium bromide; L64N7M9BWR; cetyl trimethylammonium bromide; CHEMBL307346; Lauroseptol; Hexadecyl-trimethyl-ammonium; bromide; NCGC00164283-01; Cetrimida; Cetrimidum; Mical; Cirrasol-OD; DSSTox_CID_17028; DSSTox_RID_79297; DSSTox_GSID_37028; Bromat (VAN); hexadecyltrimethylamine, bromide; Micol (VAN); Caswell No. 167; Lissolamine V (VAN); Cetavlex; Cradocap; Zetrimid; Cetrimide [INN:BAN:JAN]; Cetyltrimethylammonium (bromide);Hexadecyltrimethylammonium (bromide);CTAB; Cetrimonio bromuro; Cetrimonio bromuro [DCIT]; CAS-57-09-0; Hexadecyltrimethylammonium bromide, 99+%; CETYLTRIMETHYLAMMONIUM BROMIDE, 98%; CTABR; Cetrimonii bromidum [INN-Latin]; SR-05000001830; EINECS 200-311-3; Bromure de cetrimonium [INN-French]; Bromuro de cetrimonio [INN-Spanish]; NSC 32927; cetyltrimethylammoniumbromide; EPA Pesticide Chemical Code 069117; C19H42BrN; AI3-12209; Lissolamine V; cetyl N; Hexadecanyltrimethylammonium bromide; hexadecyl(trimethyl)azanium bromide; Cetrimonium bromide [INN:BAN:NF]; hexadecyl(trimethyl)ammonium bromide; Ammonium, hexadecyltrimethyl-, bromide; Epitope ID:116869; EC 200-311-3; SCHEMBL4377; ACMC-1AP33; Zephirol Related Compound 5; cetyltrimethyl ammonium bromide; cetyltrimethyl-ammonium bromide; SPECTRUM1503200; Cetrimonium bromide (NF/INN); cetyl trimethyl-ammonium bromide; hexadecyltrimethylazanium bromide; DTXSID5037028; HMS500K11; hexadecyl-trimethylammonium bromide; N,N-Trimethylcetylammonium bromide; HMS1922G21; HMS2092L22; HMS3652J19; Pharmakon1600-01503200; hexadecyl-trimethyl ammonium bromide; HY-B1260; NSC32927; Tox21_112096; Tox21_300853; ANW-32635; CCG-39968; NSC-32927; NSC758401; s4242; SBB008910; ScintiGest?Tissue Solubilizer; STL477543; AKOS015915119; Tox21_112096_1; CS-4893; JC10039; MCULE-7452998571; NSC-758401; Hexadecyltrimethylammonium bromide, 99%; N,N-Trimethyl-1-hexadecanaminium bromide; NCGC00095012-01; NCGC00095012-02; NCGC00164283-07; NCGC00254756-01; AK150860; AS-11739; BP-30064; N-Hexadecyl-N,N-trimethylammonium bromide; Q564; WLN: 16K1&1&1 &Q &E; Hexadecyltrimethylammonium bromide, >=98%; 1-Hexadecanaminium,N,N-trimethyl-, bromide; DB-050366; FT-0652251; FT-0655369; ST51046347; SW220088-1; A16438; C11275; D03454; Hexadecyltrimethylammonium bromide, AR, >=99%; A831309; Q416077; Hexadecyltrimethylammonium bromide, >=96.0% (AT); Hexadecyltrimethylammonium bromide, BioXtra, >=99%; Q-200821; SR-05000001830-1; SR-05000001830-3; Hexadecyltrimethylammonium bromide, analytical standard; UNII-24QSH2NL8N component LZZYPRNAOMGNLH-UHFFFAOYSA-M; Hexadecyltrimethylammonium bromide, BioUltra, >=99.0% (AT); Hexadecyltrimethylammonium bromide, for ion pair chromatography; Hexadecyltrimethylammonium bromide, for molecular biology, >=99%; Hexadecyltrimethylammonium bromide, Vetec(TM) reagent grade, 96%; Cetrimonium bromide, United States Pharmacopeia (USP) Reference Standard; Hexadecyltrimethylammonium bromide, BioUltra, for molecular biology, >=99.0% (AT); Hexadecyltrimethylammonium bromide, puriss. p.a., matrix substance for MALDI-MS; Hexadecyltrimethylammonium bromide, PharmaGrade, USP/NF, Manufactured under appropriate controls for pharma or biopharmaceutical production.
DIG Function
Antimicrobial preservative; Surfactant
PubChem CID
5974
Formula
C19H42BrN
Canonical SMILES
CCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-]
InChI
1S/C19H42N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1
InChIKey
LZZYPRNAOMGNLH-UHFFFAOYSA-M
   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=5974"></iframe>
3D MOL is not available 2D MOL
Physicochemical Properties Molecular Weight 364.4 Topological Polar Surface Area 0
XlogP N.A. Complexity 181
Heavy Atom Count 21 Rotatable Bond Count 15
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 1
Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
      Oxidoreductase (ORase)
            DBT Name: Albendazole monooxygenase (CYP3A4) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment (1) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity IC50 = 197 uM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID CP3A4_HUMAN
               Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity IC50 = 196.8 uM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID CP3A4_HUMAN
            DBT Name: Cytochrome P450 2E1 (CYP2E1) 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 = 200.7 uM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID CP2E1_HUMAN
            DBT Name: Cytochrome P450 2C9 (CYP2C9) 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 = 178.5 uM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID CP2C9_HUMAN
            DBT Name: Mephenytoin 4-hydroxylase (CYP2C19) 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 = 1456 uM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID CP2CJ_HUMAN
            DBT Name: Debrisoquine 4-hydroxylase (CYP2D6) 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 = 211 uM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID CP2D6_HUMAN
            DBT Name: Cytochrome P450 3A5 (CYP3A5) 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 = 121 uM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID CP3A5_HUMAN
      Transferase (TFase)
            DBT Name: Thiosulfate sulfurtransferase (TST) 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 > 100000 nM (tested by experiment) [2]
                    Tested Species Homo sapiens (Human)
                    UniProt ID THTR_HUMAN
      Hydrolase (HDase)
            DBT Name: Dynamin-1 (DNM1) 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 = 4370 nM (tested by experiment) [3]
                    Tested Species Homo sapiens (Human)
                    UniProt ID DYN1_HUMAN
      Lyase/isomerase/ligase (L/I/G)
            DBT Name: Cholesterol 25-hydroxylase (CYP1A2) 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 = 128.7 uM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID CP1A2_HUMAN
            DBT Name: Hsp60-Hsp10 complex (HSPD1-HSPE1) 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 = 7400 nM (tested by experiment) [2]
                    Tested Species Homo sapiens (Human)
                    UniProt ID CH60_HUMAN ; CH10_HUMAN
References
1 Mediation of in vitro cytochrome p450 activity by common pharmaceutical excipients. Mol Pharm. 2013 Jul 1;10(7):2739-48.
2 HSP60/10 chaperonin systems are inhibited by a variety of approved drugs, natural products, and known bioactive molecules. Bioorg Med Chem Lett. 2019 May 1; 29(9):1106-1112.
3 Long chain amines and long chain ammonium salts as novel inhibitors of dynamin GTPase activity. Bioorg Med Chem Lett. 2004 Jun 21; 14(12):3275-8.

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