U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C12H30N2.2Br
Molecular Weight 362.188
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HEXAMETHONIUM BROMIDE

SMILES

[Br-].[Br-].C[N+](C)(C)CCCCCC[N+](C)(C)C

InChI

InChIKey=FAPSXSAPXXJTOU-UHFFFAOYSA-L
InChI=1S/C12H30N2.2BrH/c1-13(2,3)11-9-7-8-10-12-14(4,5)6;;/h7-12H2,1-6H3;2*1H/q+2;;/p-2

HIDE SMILES / InChI
Molecular Formula C12H30N2
Molecular Weight 202.38
Charge 2
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
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

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:13:19 UTC 2023
Edited
by admin
on Fri Dec 15 15:13:19 UTC 2023
Record UNII
8J77X3S603
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HEXAMETHONIUM BROMIDE
INN   JAN   MART.   MI   WHO-DD  
INN  
Official Name English
HEXAMETHONIUM BROMIDE [MART.]
Common Name English
NSC-163965
Code English
hexamethonium bromide [INN]
Common Name English
Hexamethonium bromide [WHO-DD]
Common Name English
HEXAMETHONE BROMIDE
Common Name English
HEXAMETHONIUM BROMIDE [JAN]
Common Name English
HEXAMETHONIUM BROMIDE [MI]
Common Name English
HEXAMETHYLENEBIS(TRIMETHYLAMMONIUM BROMIDE)
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C66886
Created by admin on Fri Dec 15 15:13:19 UTC 2023 , Edited by admin on Fri Dec 15 15:13:19 UTC 2023
Code System Code Type Description
SMS_ID
100000083955
Created by admin on Fri Dec 15 15:13:19 UTC 2023 , Edited by admin on Fri Dec 15 15:13:19 UTC 2023
PRIMARY
NSC
163965
Created by admin on Fri Dec 15 15:13:19 UTC 2023 , Edited by admin on Fri Dec 15 15:13:19 UTC 2023
PRIMARY
EPA CompTox
DTXSID50883229
Created by admin on Fri Dec 15 15:13:19 UTC 2023 , Edited by admin on Fri Dec 15 15:13:19 UTC 2023
PRIMARY
INN
2047
Created by admin on Fri Dec 15 15:13:19 UTC 2023 , Edited by admin on Fri Dec 15 15:13:19 UTC 2023
PRIMARY
ChEMBL
CHEMBL100622
Created by admin on Fri Dec 15 15:13:19 UTC 2023 , Edited by admin on Fri Dec 15 15:13:19 UTC 2023
PRIMARY
EVMPD
SUB08028MIG
Created by admin on Fri Dec 15 15:13:19 UTC 2023 , Edited by admin on Fri Dec 15 15:13:19 UTC 2023
PRIMARY
ECHA (EC/EINECS)
200-249-7
Created by admin on Fri Dec 15 15:13:19 UTC 2023 , Edited by admin on Fri Dec 15 15:13:19 UTC 2023
PRIMARY
NCI_THESAURUS
C80001
Created by admin on Fri Dec 15 15:13:19 UTC 2023 , Edited by admin on Fri Dec 15 15:13:19 UTC 2023
PRIMARY
DRUG BANK
DBSALT001082
Created by admin on Fri Dec 15 15:13:19 UTC 2023 , Edited by admin on Fri Dec 15 15:13:19 UTC 2023
PRIMARY
CAS
55-97-0
Created by admin on Fri Dec 15 15:13:19 UTC 2023 , Edited by admin on Fri Dec 15 15:13:19 UTC 2023
PRIMARY
MERCK INDEX
m5994
Created by admin on Fri Dec 15 15:13:19 UTC 2023 , Edited by admin on Fri Dec 15 15:13:19 UTC 2023
PRIMARY Merck Index
FDA UNII
8J77X3S603
Created by admin on Fri Dec 15 15:13:19 UTC 2023 , Edited by admin on Fri Dec 15 15:13:19 UTC 2023
PRIMARY
PUBCHEM
5938
Created by admin on Fri Dec 15 15:13:19 UTC 2023 , Edited by admin on Fri Dec 15 15:13:19 UTC 2023
PRIMARY
Related Record Type Details
Structure of HEXAMETHONIUM
PARENT -> SALT/SOLVATE
Structure of HEXAMETHONIUM BROMIDE DIHYDRATE
SOLVATE->ANHYDROUS
Related Record Type Details
Structure of HEXAMETHONIUM
ACTIVE MOIETY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966