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Details

Stereochemistry ACHIRAL
Molecular Formula C36H42N2.2Br
Molecular Weight 662.54
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HEXAFLUORENIUM BROMIDE

SMILES

[Br-].[Br-].C[N+](C)(CCCCCC[N+](C)(C)C1C2=C(C=CC=C2)C3=C1C=CC=C3)C4C5=C(C=CC=C5)C6=C4C=CC=C6

InChI

InChIKey=WDEFPRUEZRUYNW-UHFFFAOYSA-L
InChI=1S/C36H42N2.2BrH/c1-37(2,35-31-21-11-7-17-27(31)28-18-8-12-22-32(28)35)25-15-5-6-16-26-38(3,4)36-33-23-13-9-19-29(33)30-20-10-14-24-34(30)36;;/h7-14,17-24,35-36H,5-6,15-16,25-26H2,1-4H3;2*1H/q+2;;/p-2

HIDE SMILES / InChI
Molecular Formula BrH
Molecular Weight 80.912
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula C36H42N2
Molecular Weight 502.7321
Charge 2
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description
Curator's Comment: Description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/948350

Hexafluorenium inhibits the enzyme cholinesterase in the plasms, but apparently not at the neuromuscular juntion. It also has some nondepolarizing activity (tubocurarine-like) at the postjunctional membrane. In man hexafluorenium potentiates the muscle relaxant effects of succinylcholine. As such, smaller doses of succinylcholine are required and fewer side effects like fasciculations, twitching and postoperative muscle pain are experienced.

Originator

Cavallito, C.J. et al.
2
Curator's Comment: reference retrieved from http://www.drugfuture.com/chemdata/hexafluorenium-bromide.html | https://www.ncbi.nlm.nih.gov/pubmed/5354795

Approval Year

1955
116
Targets

Targets

Primary TargetPharmacologyConditionPotency
Cholinesterase
14
Target ID: P06276
Gene ID: 590.0
Gene Symbol: BCHE
Target Organism: Homo sapiens (Human)
Inhibitor
8297
 2.4 nM [Ki]
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Preventing
Approved
8429
MYLAXEN

Approved Use

Used as an adjunct with succinylcholine (or suxamethonium chloride) to prolong muscle relaxation and to prevent succinylcholine-induced muscle fasciculations.
Sourcing

Sourcing

Vendor/AggregatorIDURL
AAA Chemistry
AR-1B8335
ABI Chem
AC1L1GAN
ABI Chem
AC1Q1HVL
Angene
AGN-PC-0WALTL
AstaTech
A11703
BOC Sciences
317-52-2
Compound Cloud
3601
Compound Cloud
9434
KeyOrganics
AS-57449
Kingston Chemistry
KST-1A9368
MolPort
MolPort-006-111-202
MuseChem
R025024
NCI Plated 2007
19477
NovoSeek
3601
ZINC
ZINC000001566899
http://zinc15.docking.org/substances/ZINC000001566899
eMolecules
194047092
eNovation Chemicals
D584066
mcule
MCULE-6055456556
mcule
MCULE-8761766213
PubMed

PubMed

TitleDatePubMed
Pseudocholinesterase enzyme deficiency: a case series and review of the literature.
2009 Dec 4
Sertraline-induced pseudocholinesterase enzyme deficiency.
2010 Nov 16
Patents

Patents

US2783237
2

Sample Use Guides

In Vitro Use Guide
Unknown
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:09:06 UTC 2023
Edited
by admin
on Fri Dec 15 15:09:06 UTC 2023
Record UNII
B64NJG83K2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HEXAFLUORENIUM BROMIDE
MI   ORANGE BOOK   USAN   VANDF  
USAN  
Official Name English
HEXAFLUORENIUM BROMIDE [MI]
Common Name English
Hexafluronium bromide [WHO-DD]
Common Name English
NSC-19477
Code English
HEXAFLURONIUM BROMIDE [MART.]
Common Name English
1,6-HEXANEDIAMINIUM, N,N'-DI-9H-FLUOREN-9-YL-N,N,N',N'-TETRAMETHYL-, DIBROMIDE
Systematic Name English
1,6-HEXANEDIAMINIUM, N1,N6-DI-9H-FLUOREN-9-YL-N1,N1,N6,N6-TETRAMETHYL-, BROMIDE (1:2)
Systematic Name English
MYLAXEN
Brand Name English
HEXAFLURONIUM BROMIDE
INN   MART.   WHO-DD  
INN  
Official Name English
HEXAFLUORENIUM BROMIDE [USAN]
Common Name English
HEXAFLUORENIUM BROMIDE [VANDF]
Common Name English
HEXAFLUORENIUM BROMIDE [ORANGE BOOK]
Common Name English
hexafluronium bromide [INN]
Common Name English
Hexamethylenebis[fluoren-9-yldimethylammonium] dibromide
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C29698
Created by admin on Fri Dec 15 15:09:06 UTC 2023 , Edited by admin on Fri Dec 15 15:09:06 UTC 2023
NCI_THESAURUS C47792
Created by admin on Fri Dec 15 15:09:06 UTC 2023 , Edited by admin on Fri Dec 15 15:09:06 UTC 2023
Code System Code Type Description
WIKIPEDIA
HEXAFLURONIUM BROMIDE
Created by admin on Fri Dec 15 15:09:06 UTC 2023 , Edited by admin on Fri Dec 15 15:09:06 UTC 2023
PRIMARY
EPA CompTox
DTXSID6048753
Created by admin on Fri Dec 15 15:09:06 UTC 2023 , Edited by admin on Fri Dec 15 15:09:06 UTC 2023
PRIMARY
RXCUI
53017
Created by admin on Fri Dec 15 15:09:06 UTC 2023 , Edited by admin on Fri Dec 15 15:09:06 UTC 2023
PRIMARY RxNorm
INN
1143
Created by admin on Fri Dec 15 15:09:06 UTC 2023 , Edited by admin on Fri Dec 15 15:09:06 UTC 2023
PRIMARY
PUBCHEM
9434
Created by admin on Fri Dec 15 15:09:06 UTC 2023 , Edited by admin on Fri Dec 15 15:09:06 UTC 2023
PRIMARY
NSC
19477
Created by admin on Fri Dec 15 15:09:06 UTC 2023 , Edited by admin on Fri Dec 15 15:09:06 UTC 2023
PRIMARY
NCI_THESAURUS
C65847
Created by admin on Fri Dec 15 15:09:06 UTC 2023 , Edited by admin on Fri Dec 15 15:09:06 UTC 2023
PRIMARY
SMS_ID
100000083974
Created by admin on Fri Dec 15 15:09:06 UTC 2023 , Edited by admin on Fri Dec 15 15:09:06 UTC 2023
PRIMARY
EVMPD
SUB08027MIG
Created by admin on Fri Dec 15 15:09:06 UTC 2023 , Edited by admin on Fri Dec 15 15:09:06 UTC 2023
PRIMARY
CAS
317-52-2
Created by admin on Fri Dec 15 15:09:06 UTC 2023 , Edited by admin on Fri Dec 15 15:09:06 UTC 2023
PRIMARY
ChEMBL
CHEMBL1201349
Created by admin on Fri Dec 15 15:09:06 UTC 2023 , Edited by admin on Fri Dec 15 15:09:06 UTC 2023
PRIMARY
MERCK INDEX
m5990
Created by admin on Fri Dec 15 15:09:06 UTC 2023 , Edited by admin on Fri Dec 15 15:09:06 UTC 2023
PRIMARY Merck Index
DRUG BANK
DB00941
Created by admin on Fri Dec 15 15:09:06 UTC 2023 , Edited by admin on Fri Dec 15 15:09:06 UTC 2023
PRIMARY
ECHA (EC/EINECS)
206-265-0
Created by admin on Fri Dec 15 15:09:06 UTC 2023 , Edited by admin on Fri Dec 15 15:09:06 UTC 2023
PRIMARY
FDA UNII
B64NJG83K2
Created by admin on Fri Dec 15 15:09:06 UTC 2023 , Edited by admin on Fri Dec 15 15:09:06 UTC 2023
PRIMARY
Related Record Type Details
Structure of HEXAFLUORENIUM
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