Drug Information

General Information
Drug ID
DR01325
Drug Name
Bretylium
Synonyms
(2-bromobenzyl)ethyldimethylaminium; (2-bromophenyl)methyl-ethyl-dimethylazanium; (o-Bromobenzyl)ethyldimethylammonium p-toluenesulfonate; 2-bromo-N-ethyl-N,N-dimethylbenzenemethanaminium; Benzenemethanaminium, 2-bromo-N-ethyl-N,N-dimethyl-, salt with 4-methylbenzenesulfonic acid (1:1); Bretylium tolsylate; Bretylium tosylate(USAN); Bretylum; N-(2-bromobenzyl)-N,N-dimethylethanaminium; N-ethyl-N,N-dimethyl-2-bromobenzenemethanaminium
Drug Type
Small molecular drug
Indication Ventricular fibrillation [ICD11:BC71.1] Withdrawn [1]
Therapeutic Class
Antiarrhythmic Agents
Structure
3D MOL 2D MOL
Formula
C11H17BrN+
Canonical SMILES
CC[N+](C)(C)CC1=CC=CC=C1Br
InChI
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
CAS Number
CAS 59-41-6
Pharmaceutical Properties Molecular Weight 243.16 Topological Polar Surface Area 0
Heavy Atom Count 13 Rotatable Bond Count 3
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 0
XLogP
2.8
PubChem CID
2431
PubChem SID
9073 ,794516 ,5580995 ,7978814 ,8151623 ,11468090 ,11486799 ,14749639 ,29221595 ,46505320 ,47365410 ,47515523 ,47515524 ,48035343 ,49699004 ,50064953 ,50113154 ,50113155 ,50310316 ,57321311 ,85209526 ,92740966 ,104300566 ,126407358 ,126729469 ,127378478 ,131273742 ,134222665 ,134338214 ,135021960 ,137001461 ,142246611 ,160964492 ,162201420 ,175267511 ,178103706 ,179225252 ,223454297 ,223518984 ,223814627 ,225144298 ,226405825 ,246089195
ChEBI ID
CHEBI:3172
TTD Drug ID
D02YYF
DT(s) Transporting This Drug DAT1 Transporter Info Sodium-dependent dopamine transporter Substrate [2]
References
1 Wikipedia: Bretylium
2 Which form of dopamine is the substrate for the human dopamine transporter: the cationic or the uncharged species? J Biol Chem. 1999 Feb 19;274(8):4876-82.

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