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Bretylium tosylate

CAT: 0127-BUP09809-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP09809-01Size:5 mg
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CAS Number
61-75-6
Purity
=98%
Smiles
CC1=CC=C(S(=O)([O-])=O)C=C1.BrC2=C(C[N+](C)(CC)C)C=CC=C2

Chemical Information

Bretylium Tosylate

Bretylium tosylate is the tosylate salt of bretylium. It blocks noradrenaline release from the peripheral sympathetic nervous system, and is used in emergency medicine, cardiology, and other specialties for the acute management of ventricular tachycardia and ventricular fibrillation. It has a role as an antihypertensive agent, an adrenergic antagonist and an anti-arrhythmia drug. It is a quaternary ammonium salt and an organosulfonate salt. It contains a bretylium.

CAS Number61-75-6
PubChem CID6100
IUPAC Name(2-bromophenyl)methyl-ethyl-dimethylazanium;4-methylbenzenesulfonate
Molecular FormulaC18H24BrNO3S
Molecular Weight414.4
Topological Polar Surface Area65.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity349
SMILES
CC[N+](C)(C)CC1=CC=CC=C1Br.CC1=CC=C(C=C1)S(=O)(=O)[O-]
InChI
InChI=1S/C11H17BrN.C7H8O3S/c1-4-13(2,3)9-10-7-5-6-8-11(10)12;1-6-2-4-7(5-3-6)11(8,9)10/h5-8H,4,9H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChIKey
KVWNWTZZBKCOPM-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Bretylium Tosylate
CAS: 61-75-6
CID: 6100
Formula: C18H24BrNO3S
MW: 414.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight414.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass413.06603
Monoisotopic Mass413.06603
Topological Polar Surface Area65.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity349
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-12961A-01Bretylium (tosylate)
004554Bretylium Tosylate
A21798-10Bretylium tosylate 10mg
A21798-200Bretylium tosylate 200mg
A21798-50Bretylium tosylate 50mg
A21798-5Bretylium tosylate 5mg
A21798-100Bretylium tosylate 100mg
A21798-25Bretylium tosylate 25mg
A21798-2Bretylium tosylate 2mg
HY-12961ARBretylium (tosylate) (Standard)

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