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Details

Stereochemistry RACEMIC
Molecular Formula C28H60N.CH3O4S
Molecular Weight 521.88
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of STEARYL ETHYLHEXYLDIMONIUM METHOSULFATE

SMILES

COS([O-])(=O)=O.CCCCCCCCCCCCCCCCCC[N+](C)(C)CC(CC)CCCC

InChI

InChIKey=IBBHDRBUQOZNGC-UHFFFAOYSA-M
InChI=1S/C28H60N.CH4O4S/c1-6-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-29(4,5)27-28(8-3)25-10-7-2;1-5-6(2,3)4/h28H,6-27H2,1-5H3;1H3,(H,2,3,4)/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C28H60N
Molecular Weight 410.7827
Charge 1
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Molecular Formula CH3O4S
Molecular Weight 111.097
Charge -1
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 Sat Dec 16 01:46:23 GMT 2023
Edited
by admin
on Sat Dec 16 01:46:23 GMT 2023
Record UNII
UA5786Q90T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
STEARYL ETHYLHEXYLDIMONIUM METHOSULFATE
INCI  
INCI  
Official Name English
1-OCTADECANAMINIUM, N-(2-ETHYLHEXYL)-N,N-DIMETHYL-, METHYL SULFATE
Common Name English
(±)-STEARYL ETHYLHEXYLDIMONIUM METHOSULFATE
Common Name English
STEARYL ETHYLHEXYLDIMONIUM METHOSULFATE [INCI]
Common Name English
1-OCTADECANAMINIUM, N-(2-ETHYLHEXYL)-N,N-DIMETHYL-, METHYL SULFATE (1:1)
Common Name English
STEARYL ETHYLHEXYLDIMONIUM METHOSULFATE, (±)-
Common Name English
ARQUAD PC HTL8-MS
Brand Name English
Code System Code Type Description
PUBCHEM
71587741
Created by admin on Sat Dec 16 01:46:23 GMT 2023 , Edited by admin on Sat Dec 16 01:46:23 GMT 2023
PRIMARY
CAS
463965-15-3
Created by admin on Sat Dec 16 01:46:23 GMT 2023 , Edited by admin on Sat Dec 16 01:46:23 GMT 2023
PRIMARY
FDA UNII
UA5786Q90T
Created by admin on Sat Dec 16 01:46:23 GMT 2023 , Edited by admin on Sat Dec 16 01:46:23 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE