Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E0FE5M)
DIG Name
Cetrimide
Synonyms    Click to Show/Hide the Synonyms of This DIG
1119-97-7; Cetrimide; Myristyltrimethylammonium bromide; Tetradonium bromide; Tetradecyltrimethylammonium bromide; MITMAB; N,N,N-trimethyltetradecan-1-aminium bromide; Tetradecyl Trimethyl Ammonium Bromide; TTAB; Myrtrimonium bromide; 8044-71-1; MFCD00011770; 1-Tetradecanaminium, N,N,N-trimethyl-, bromide; Trimethyltetradecylammonium bromide; trimethyl(tetradecyl)azanium;bromide; Trimethyl(tetradecyl)ammonium bromide; MTAB; UNII-8483H94W1E; trimethyl(tetradecyl)azanium bromide; CHEBI:3565; Mytab; Tetradecyltrimethylammonium (bromide); 8483H94W1E; 1-Tetradecanaminium, N,N,N-trimethyl-, bromide (1:1); Morpan T; Quaternium 13; DSSTox_CID_24367; DSSTox_RID_80175; DSSTox_GSID_44367; trimethyltetradecylamine, bromide; Myrtrimonium bromide;Cetrimide BP; MTAB; Microcide II; Morpan T;; Alkyltrimethylammonium bromide; CHEMBL113150; Myristyltrimethylammonium bromide, 99%; Tetradonio bromuro; Tetradonio bromuro [DCIT]; Tetradonium bromide [INN]; Tetradonii bromidum; CAS-1119-97-7; Ammonium, trimethyltetradecyl-, bromide; Bromuro de tetradonio; Trimethylmyristylammonium bromide; Bromure de tetradonium; Tetradonii bromidum [INN-Latin]; NCGC00166121-01; EINECS 214-291-9; Bromure de tetradonium [INN-French]; Bromuro de tetradonio [INN-Spanish]; N,N,N-Trimethyl-1-tetradecanaminium bromide; Myristyl trimethyl ammonium bromide; Cetrimide (JAN); N-Tetradecyltrimethylammonium bromide; ACMC-2099bx; (1-TETRADECYL)TRIMETHYLAMMONIUM BROMIDE; AMMONIUM, TETRADECYLTRIMETHYL-, BROMIDE; EC 214-291-9; SCHEMBL59988; Myristyltrimethylaminium bromide; DTXSID0044367; Tetradecyltrimethylammmonium bromide; HY-D0839; Trimethyltetradecyl Ammonium Bromide; Tox21_112327; Tox21_302067; ANW-16363; SBB060106; AKOS015907427; Tox21_112327_1; JC10043; MCULE-6081426921; VA10560; NCGC00166121-03; NCGC00255707-01; AK117184; AS-12887; DB-050409; B7620; CS-0014809; FT-0604996; ST51046346; (1-Tetradecyl)trimethylammonium bromide, 98%; C11279; D02164; T-6750; A802464; A839915; Q27106133; UNII-24QSH2NL8N component CXRFDZFCGOPDTD-UHFFFAOYSA-M
DIG Function
Antimicrobial preservative; Surfactant
PubChem CID
14250
Formula
C17H38BrN
Canonical SMILES
CCCCCCCCCCCCCC[N+](C)(C)C.[Br-]
InChI
1S/C17H38N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;/h5-17H2,1-4H3;1H/q+1;/p-1
InChIKey
CXRFDZFCGOPDTD-UHFFFAOYSA-M
   Click to Show/Hide the Molecular Data (Structure/Property) of This DIG
Structure
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3D MOL is not available 2D MOL
Physicochemical Properties Molecular Weight 336.4 Topological Polar Surface Area 0
XlogP N.A. Complexity 158
Heavy Atom Count 19 Rotatable Bond Count 13
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 1
Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
      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 = 5790 nM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID DYN1_HUMAN
References
1 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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