Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D00890)
Name
Bretylium
Synonyms    Click to Show/Hide the Synonyms of This API
Bretylium; 59-41-6; Bretylium tolsylate; Bretylate; Bretylan; Bretylol; UNII-RZR75EQ2KJ; (2-bromophenyl)methyl-ethyl-dimethylazanium; (2-bromobenzyl)ethyldimethylaminium; RZR75EQ2KJ; CHEBI:3172; Bretylum; 2-bromo-N-ethyl-N,N-dimethylbenzenemethanaminium; N-ethyl-N,N-dimethyl-2-bromobenzenemethanaminium; [(2-bromophenyl)methyl](ethyl)dimethylazanium; C11H17BrN; ASL 603; NSC62164; Benzenemethanaminium, 2-bromo-N-ethyl-N,N-dimethyl-, salt with 4-methylbenzenesulfonic acid (1:1); Bretylium tosylate(USAN); N-(2-bromobenzyl)-N,N-dimethylethanaminium; Prestwick1_000942; Prestwick2_000942; Prestwick3_000942; SCHEMBL15438; BSPBio_000904; Benzenemethanaminium, 2-bromo-N-ethyl-N,N-dimethyl-; SPBio_003063; BPBio1_000996; GTPL7130; ZINC1041; CHEMBL1199080; DTXSID3046958; DB01158; NCGC00168463-01; NCGC00168463-02; NCGC00168463-04; NCGC00168463-06; AB00383047; X4649; (2-bromophenyl)methyl-ethyl-dimethyl-ammonium; A21112; C06855; L000814; Q420026
Clinical Status
Approved
PubChem CID
2431
Formula
C11H17BrN+
Canonical SMILES
CC[N+](C)(C)CC1=CC=CC=C1Br
InChI
1S/C11H17BrN/c1-4-13(2,3)9-10-7-5-6-8-11(10)12/h5-8H,4,9H2,1-3H3/q+1
InChIKey
AAQOQKQBGPPFNS-UHFFFAOYSA-N
   Click to Show/Hide the Molecular Data (Structure/Property) of This API
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=2431"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 243.16 Topological Polar Surface Area 0
XlogP 2.8 Complexity 156
Heavy Atom Count 13 Rotatable Bond Count 3
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 0
Full List of Drug Formulations (DFMs) Containing This API
          Bretylium 50mg/ml injectable Click to Show/Hide the Full List of Formulation(s):          1 Formulation(s)
             Drug Formulation 1 DFM Info click to show the detail info of this DFM
                   All DIGs    Click to Show/Hide the Full List of DIGs in This DFM
Sodium Hydroxide; Hydrochloric Acid
                   Dosage Form Injectable
                   Company Ani Pharmaceuticals
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Hydrochloric acid DIG Info Carbonic anhydrase V (Ki = 156 nM) [1]
References
1 Carbonic anhydrase inhibitors. Inhibition of the newly isolated murine isozyme XIII with anions. Bioorg Med Chem Lett. 2004 Nov 1; 14(21):5435-9.

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