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Details

Stereochemistry ACHIRAL
Molecular Formula C19H42N.C7H4NO3S
Molecular Weight 466.72
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CETRIMONIUM SACCHARINATE

SMILES

O=C1[N-]S(=O)(=O)C2=C1C=CC=C2.CCCCCCCCCCCCCCCC[N+](C)(C)C

InChI

InChIKey=GDORIPGFFDIMOW-UHFFFAOYSA-M
InChI=1S/C19H42N.C7H5NO3S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;9-7-5-3-1-2-4-6(5)12(10,11)8-7/h5-19H2,1-4H3;1-4H,(H,8,9)/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C7H5NO3S
Molecular Weight 183.185
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C19H42N
Molecular Weight 284.5435
Charge 1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:14:49 GMT 2023
Edited
by admin
on Sat Dec 16 08:14:49 GMT 2023
Record UNII
7LB6MR3885
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CETRIMONIUM SACCHARINATE
INCI  
INCI  
Official Name English
CETRIMONIUM SACCHARINATE [INCI]
Common Name English
HEXADECYLTRIMETHYLAMMONIUM, SALT WITH 1,2-BENZISOTHIAZOL-3(2H)-ONE1,1-DIOXIDE (1:1)
Common Name English
1-HEXADECANAMINIUM, N,N,N-TRIMETHYL-, SALT WITH 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE (1:1)
Systematic Name English
CETYLTRIMETHYLAMMONIUM SACCHARINATE
Common Name English
CETYLTRIMETHYLAMMONIUM BENZOSULFIMIDE
Common Name English
PIONIN B 611S
Brand Name English
Code System Code Type Description
ECHA (EC/EINECS)
219-608-4
Created by admin on Sat Dec 16 08:14:49 GMT 2023 , Edited by admin on Sat Dec 16 08:14:49 GMT 2023
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FDA UNII
7LB6MR3885
Created by admin on Sat Dec 16 08:14:49 GMT 2023 , Edited by admin on Sat Dec 16 08:14:49 GMT 2023
PRIMARY
CAS
2478-29-7
Created by admin on Sat Dec 16 08:14:49 GMT 2023 , Edited by admin on Sat Dec 16 08:14:49 GMT 2023
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PUBCHEM
64784
Created by admin on Sat Dec 16 08:14:49 GMT 2023 , Edited by admin on Sat Dec 16 08:14:49 GMT 2023
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EPA CompTox
DTXSID60883851
Created by admin on Sat Dec 16 08:14:49 GMT 2023 , Edited by admin on Sat Dec 16 08:14:49 GMT 2023
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