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Details

Stereochemistry ABSOLUTE
Molecular Formula C12H30N2.2C4H5O6
Molecular Weight 500.5378
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HEXAMETHONIUM TARTRATE

SMILES

O[C@H]([C@@H](O)C([O-])=O)C(O)=O.O[C@H]([C@@H](O)C([O-])=O)C(O)=O.C[N+](C)(C)CCCCCC[N+](C)(C)C

InChI

InChIKey=FBKYPSXTNBQAJW-WBPXWQEISA-L
InChI=1S/C12H30N2.2C4H6O6/c1-13(2,3)11-9-7-8-10-12-14(4,5)6;2*5-1(3(7)8)2(6)4(9)10/h7-12H2,1-6H3;2*1-2,5-6H,(H,7,8)(H,9,10)/q+2;;/p-2/t;2*1-,2-/m.11/s1

HIDE SMILES / InChI

Molecular Formula C4H6O6
Molecular Weight 150.0868
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

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

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:11:37 UTC 2023
Edited
by admin
on Fri Dec 15 16:11:37 UTC 2023
Record UNII
4U6FTZ422J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HEXAMETHONIUM TARTRATE
MART.   MI  
Common Name English
1,6-HEXANEDIAMINIUM, N,N,N,N',N',N'-HEXAMETHYL-, SALT WITH (2R,3R)-2,3-DIHYDROXYBUTANEDIOIC ACID (1:2)
Common Name English
ESONIUM
Brand Name English
HEXAMETHONIUM TARTRATE [MI]
Common Name English
HEXAMETHONIUM BITARTRATE
Common Name English
VEGOLYSEN-T
Brand Name English
ESOTENSYL
Brand Name English
HEXAMETHONIUM TARTRATE [MART.]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C66886
Created by admin on Fri Dec 15 16:11:37 UTC 2023 , Edited by admin on Fri Dec 15 16:11:37 UTC 2023
Code System Code Type Description
MERCK INDEX
m5994
Created by admin on Fri Dec 15 16:11:37 UTC 2023 , Edited by admin on Fri Dec 15 16:11:37 UTC 2023
PRIMARY Merck Index
PUBCHEM
20055331
Created by admin on Fri Dec 15 16:11:37 UTC 2023 , Edited by admin on Fri Dec 15 16:11:37 UTC 2023
PRIMARY
CAS
2079-78-9
Created by admin on Fri Dec 15 16:11:37 UTC 2023 , Edited by admin on Fri Dec 15 16:11:37 UTC 2023
PRIMARY
ECHA (EC/EINECS)
218-207-1
Created by admin on Fri Dec 15 16:11:37 UTC 2023 , Edited by admin on Fri Dec 15 16:11:37 UTC 2023
PRIMARY
EPA CompTox
DTXSID20943001
Created by admin on Fri Dec 15 16:11:37 UTC 2023 , Edited by admin on Fri Dec 15 16:11:37 UTC 2023
PRIMARY
FDA UNII
4U6FTZ422J
Created by admin on Fri Dec 15 16:11:37 UTC 2023 , Edited by admin on Fri Dec 15 16:11:37 UTC 2023
PRIMARY
ChEMBL
CHEMBL100622
Created by admin on Fri Dec 15 16:11:37 UTC 2023 , Edited by admin on Fri Dec 15 16:11:37 UTC 2023
PRIMARY
NCI_THESAURUS
C83750
Created by admin on Fri Dec 15 16:11:37 UTC 2023 , Edited by admin on Fri Dec 15 16:11:37 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY