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Compound Summary

Bretylium tosylate

Compound Information

Bretylium tosylate

Compound Name:	Bretylium tosylate
Compound CID:	6100
Synonyms:	Bretylium tosylate 61-75-6 Bretylium tosilate Ornid Bretylol More...
Iupac Name:	(2-bromophenyl)methyl-ethyl-dimethylazanium;4-methylbenzenesulfonate
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
Canonical Smiles:	CC[N+](C)(C)CC1=CC=CC=C1Br.CC1=CC=C(C=C1)S(=O)(=O)[O-]
Isomeric Smiles:	CC[N+](C)(C)CC1=CC=CC=C1Br.CC1=CC=C(C=C1)S(=O)(=O)[O-]
Molecular Weight:	414.4
Molecular Formula:	C18H24BrNO3S

Compound Structure

2D Structure:

3D Structure:

Computed Properties

Bretylium tosylate

Molecular Weight:	414.4
Molecular Formula:	C18H24BrNO3S
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	3
Heavy Atom Count:	24
Complexity:	349

Synonyms

Bretylium tosylate

Bretylium tosylate	Bretylium tosylate
Bretylium tosylate	61-75-6
Bretylium tosilate	Ornid
Bretylol	Darenthin
Bretylate	N-(2-bromobenzyl)-N,N-dimethylethanaminium 4-methylbenzenesulfonate
Darentin	Bretylan
Bretylium (tosylate)	Bretylium p-toluenesulfonate
Bretylii tosilas	ASL-603
Tosilato de bretilio	Tosilate de bretylium
(o-Bromobenzyl)ethyldimethylammonium p-toluenesulfonate	UNII-78ZP3YR353
2-Bromo-N-ethyl-N,N-dimethylbenzenemethanaminium 4-methylbenzenesulfonate	Dimethylethyl-o-bromobenzylammonium-p-toluenesulphonate
N-Ethyl-N-o-bromobenzyl-N,N-dimethylammonium tosylate	MLS000028635
CHEBI:3173	78ZP3YR353
CAS-61-75-6	NCGC00016119-02
ASL 603	SMR000058647
Bretylium tosilate (INN)	Bretylium tosilate INN
Benzenemethanaminium, 2-bromo-N-ethyl-N,N-dimethyl-, salt with 4-methylbenzenesulfonic acid (1:1)	Bretilio tosilato
Bretilio tosilato DCIT	NSC 62164
Bretylii tosilas INN-Latin	NSC62164
Bretylium Tosylate In Dextrose 5%	SR-01000000254
Tosilate de bretylium INN-French	Tosilato de bretilio INN-Spanish
EINECS 200-516-8	Bretylium tosylate (USP)
Bretylium Tosylate In Plastic Container	Bretylium tosylate USAN:USP
bretyliume tosylate	Bretylol (TN)
BRETYLIUM TOSYLATE IN DEXTROSE 5% IN PLASTIC CONTAINER	Opera_ID_1513
Lopac-B-8406	DSSTox_CID_2685
C18H24BrNO3S	Benzenemethanaminium, 2-bromo-N-ethyl-N,N-dimethyl-, salt with 4-methylbenzenesulfonic acid
DSSTox_RID_76691	DSSTox_GSID_22685
SCHEMBL40898	CHEMBL1095292
DTXSID1022685	HMS1570N06
HMS2097N06	HMS2235I21
HMS3714N06	AMMONIUM, (o-BROMOBENZYL)ETHYLDIMETHYL-, p-TOLUENESULFONATE
Tox21_110308	(2-bromophenyl)methyl-ethyl-dimethylazanium;4-methylbenzenesulfonate
HY-12961A	MFCD00038731
NSC-62164	AKOS015842525
CCG-204319	CS-5728
NCGC00016119-01	NCGC00016119-03
NCGC00016119-04	NCGC00024457-02
AS-56957	WLN: ER B1K2&1&1 &OSWR D1
Bretylium tosylate, >99% (TLC), powder	(2-bromobenzyl)ethyldimethylammonium tosylate
EU-0100224	FT-0603258
V2113	B 8406
D00645	SR-01000000254-2
SR-01000000254-5	Q27105972
(2-bromobenzyl)ethyldimethylammonium toluene-4-sulfonate	N-(2-Bromobenzyl)-N,N-dimethylethanaminium4-methylbenzenesulfonate
(2-bromophenyl)methyl(ethyl)dimethylazanium 4-methylbenzene-1-sulfonate	2-Bromo-N-ethyl-N,N-dimethylbenzenemethanaminium 4-methyl-benzenesulfontate
Bretylium tosylate, United States Pharmacopeia (USP) Reference Standard	N-(2-bromophenyl)methyl-N,N-dimethylethanaminium 4-methylbenzenesulfonate
Benzenemethanaminium,N-dimethyl-, salt with 4-methylbenzenesulfonic acid (1:1)

Experimental Data

Bretylium tosylate

Species	Dose	Unit	Control(Avg days)	Treatment(Avg days)	Avg/Med Lifespan Change(%)	Control(Max days)	Treatment(Max days)	Max Lifespan Change(%)	Significant	Strain	Gender	PubMed	Avg/Med Lifespan Change tab
Caenorhabditis elegans	33.000000000000000	umol/L			-4.000000000000000				NS	N2		24134630	Inactive

Experimental Data Visualization

Bretylium tosylate

Statistics Data

Bretylium tosylate

Species	Avg/Med Lifespan Change(%)	Max Lifespan Change(%)	Count Reference	Count Data point
Caenorhabditis elegans	-4.000000000000000		1	1

Statistics Data Visualization

Bretylium tosylate

Compound Name:

Bretylium tosylate

Compound CID:

6100

Synonyms:

Bretylium tosylate 61-75-6 Bretylium tosilate Ornid Bretylol More...

Iupac Name:

(2-bromophenyl)methyl-ethyl-dimethylazanium;4-methylbenzenesulfonate

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

Canonical Smiles:

CC[N+](C)(C)CC1=CC=CC=C1Br.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric Smiles:

CC[N+](C)(C)CC1=CC=CC=C1Br.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Molecular Weight:

414.4

Molecular Formula:

C18H24BrNO3S

Molecular Weight:

414.4

Molecular Formula:

C18H24BrNO3S

Hydrogen Bond Donor Count:

0

Hydrogen Bond Acceptor Count:

3

Rotatable Bond Count:

3

Heavy Atom Count:

24

Complexity:

349

Bretylium tosylate

61-75-6

Bretylium tosilate

Ornid

Bretylol

Darenthin

Bretylate

N-(2-bromobenzyl)-N,N-dimethylethanaminium 4-methylbenzenesulfonate

Darentin

Bretylan

Bretylium (tosylate)

Bretylium p-toluenesulfonate

Bretylii tosilas

ASL-603

Tosilato de bretilio

Tosilate de bretylium

(o-Bromobenzyl)ethyldimethylammonium p-toluenesulfonate

UNII-78ZP3YR353

2-Bromo-N-ethyl-N,N-dimethylbenzenemethanaminium 4-methylbenzenesulfonate

Dimethylethyl-o-bromobenzylammonium-p-toluenesulphonate

N-Ethyl-N-o-bromobenzyl-N,N-dimethylammonium tosylate

MLS000028635

CHEBI:3173

78ZP3YR353

CAS-61-75-6

NCGC00016119-02

ASL 603

SMR000058647

Bretylium tosilate (INN)

Bretylium tosilate INN

Benzenemethanaminium, 2-bromo-N-ethyl-N,N-dimethyl-, salt with 4-methylbenzenesulfonic acid (1:1)

Bretilio tosilato

Bretilio tosilato DCIT

NSC 62164

Bretylii tosilas INN-Latin

NSC62164

Bretylium Tosylate In Dextrose 5%

SR-01000000254

Tosilate de bretylium INN-French

Tosilato de bretilio INN-Spanish

EINECS 200-516-8

Bretylium tosylate (USP)

Bretylium Tosylate In Plastic Container

Bretylium tosylate USAN:USP

bretyliume tosylate

Bretylol (TN)

Bretylium tosylate

61-75-6

Bretylium tosilate

Ornid

Bretylol

More...