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Details

Stereochemistry ACHIRAL
Molecular Formula C19H42N.C7H7O3S
Molecular Weight 455.737
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CETRIMONIUM TOSYLATE

SMILES

CC1=CC=C(C=C1)S([O-])(=O)=O.CCCCCCCCCCCCCCCC[N+](C)(C)C

InChI

InChIKey=MZMRZONIDDFOGF-UHFFFAOYSA-M
InChI=1S/C19H42N.C7H8O3S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;1-6-2-4-7(5-3-6)11(8,9)10/h5-19H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1

HIDE SMILES / InChI
Molecular Formula C7H7O3S
Molecular Weight 171.194
Charge -1
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

Description
Curator's Comment: Description was created based on several sources, including http://www.americanpharmaceuticalreview.com/Featured-Articles/38886-Antimicrobial-Preservatives-Part-One-Choosing-a-Preservative-System/ | https://books.google.ru/books?id=EMrSBwAAQBAJ&printsec=frontcover&hl=ru#v=onepage&q&f=false | https://www.ncbi.nlm.nih.gov/pubmed/9880479 | http://www.medindia.net/doctors/drug_information/cetrimide.htm

Cetrimide is a quaternary ammonium compound. Cetrimide was first introduced as a combined cleanser and skin antiseptic by Barnes (1942). Cetrimide combines excellent detergent properties and minimal toxicity with a useful antiseptic action. Cetrimide affects membrane permeability allowing ‘leaking’ of essential cell constituents leading to cell death. This medication is a skin antiseptic and disinfectant prescribed for seborrhoeic dermatitis and wound cleansing. The cream has a bactericidal activity against gram-positive bacteria and incompatible with soaps and other anionic surfactants.

Originator

Imperial Chemical Industries
59
Curator's Comment: Cetrimide was first introduced as a combined cleanser and skin antiseptic by Barnes (1942). http://www.sciencedirect.com/science/article/pii/S0140673600701000 reference retrieved from https://www.ncbi.nlm.nih.gov/pubmed/18132350

Approval Year

1999
174
Targets

Targets

Primary TargetPharmacologyConditionPotency
Inhibitor
8297
Interacts
323
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Curative
Approved
8429
CETRIMIDE

Approved Use

Cetrimide is a skin antiseptic and disinfectant prescribed for seborrhoeic dermatitis and wound cleansing. The cream has a bactericidal activity against gram-positive bacteria and incompatible with soaps and other anionic surfactants.
Primary
Approved
8429
CETRIMIDE

Approved Use

Cetrimide is a skin antiseptic and disinfectant prescribed for seborrhoeic dermatitis and wound cleansing. The cream has a bactericidal activity against gram-positive bacteria and incompatible with soaps and other anionic surfactants.
PubMed

PubMed

TitleDatePubMed
Patents

Patents

US6187290B1
9
US6284289B1
9

Sample Use Guides

In Vivo Use Guide
Wound cleansing - Topical : Adult: Apply 0.1-1% aqueous solution or 0.5% cream onto affected area. Seborrhoeic dermatitis - Topical : Adult: Apply 10% shampoo solution onto the scalp.
Route of Administration: Topical
In Vitro Use Guide
Cetrimide, at 30 ug/ml inhibited growth of Aspergillus niger.
Substance Class Chemical
Created
by admin
on Fri Dec 15 19:47:46 UTC 2023
Edited
by admin
on Fri Dec 15 19:47:46 UTC 2023
Record UNII
1P489GK6AR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CETRIMONIUM TOSYLATE
INCI  
INCI  
Official Name English
TRIMETHYLCETYLAMMONIUM-P-TOLUOLSULFONAT
Common Name English
1-HEXADECANAMINIUM, N,N,N-TRIMETHYL-, 4-METHYLBENZENESULFONATE (1:1)
Systematic Name English
QUATROL
Common Name English
CETYLTRIMETHYLAMMONIUM TOSYLATE
Systematic Name English
Cetyltrimethylammonium p-toluenesulfonate [WHO-DD]
Common Name English
1-HEXADECANAMINIUM, N,N,N-TRIMETHYL-, SALT WITH 4-METHYLBENZENESULFONIC ACID (1:1)
Common Name English
CETYLTRIMETHYLAMMONIUM 4-TOLUENESULFONATE
Systematic Name English
CETRIMONIUM TOSYLATE [INCI]
Common Name English
TRIMETHYL CETYL AMMONIUM P-TOLUENESULFONATE
Common Name English
AMMONIUM, HEXADECYLTRIMETHYL-, P-TOLUENESULFONATE
Common Name English
CTAOTOS
Common Name English
HEXADECYLTRIMETHYLAMMONIUM TOSYLATE
Systematic Name English
CETATS
Brand Name English
CETYLTRIMETHYLAMMONIUM P-TOLUENESULFONATE
WHO-DD  
Common Name English
CETRIMONIUM BROMIDE P-TOLUENESULFONATE ANALOG [MI]
Common Name English
HEXADECYLTRIMETHYLAMMONIUM P-TOSYLATE
Common Name English
TRICETOL
Common Name English
Code System Code Type Description
EVMPD
SUB61495
Created by admin on Fri Dec 15 19:47:46 UTC 2023 , Edited by admin on Fri Dec 15 19:47:46 UTC 2023
PRIMARY
EVMPD
SUB60057
Created by admin on Fri Dec 15 19:47:46 UTC 2023 , Edited by admin on Fri Dec 15 19:47:46 UTC 2023
PRIMARY
EPA CompTox
DTXSID50883325
Created by admin on Fri Dec 15 19:47:46 UTC 2023 , Edited by admin on Fri Dec 15 19:47:46 UTC 2023
PRIMARY
SMS_ID
100000134328
Created by admin on Fri Dec 15 19:47:46 UTC 2023 , Edited by admin on Fri Dec 15 19:47:46 UTC 2023
PRIMARY
MESH
C020810
Created by admin on Fri Dec 15 19:47:46 UTC 2023 , Edited by admin on Fri Dec 15 19:47:46 UTC 2023
PRIMARY
PUBCHEM
9868636
Created by admin on Fri Dec 15 19:47:46 UTC 2023 , Edited by admin on Fri Dec 15 19:47:46 UTC 2023
PRIMARY
ECHA (EC/EINECS)
205-324-8
Created by admin on Fri Dec 15 19:47:46 UTC 2023 , Edited by admin on Fri Dec 15 19:47:46 UTC 2023
PRIMARY
EVMPD
SUB59820
Created by admin on Fri Dec 15 19:47:46 UTC 2023 , Edited by admin on Fri Dec 15 19:47:46 UTC 2023
PRIMARY
FDA UNII
1P489GK6AR
Created by admin on Fri Dec 15 19:47:46 UTC 2023 , Edited by admin on Fri Dec 15 19:47:46 UTC 2023
PRIMARY
CAS
138-32-9
Created by admin on Fri Dec 15 19:47:46 UTC 2023 , Edited by admin on Fri Dec 15 19:47:46 UTC 2023
PRIMARY
MERCK INDEX
m3294
Created by admin on Fri Dec 15 19:47:46 UTC 2023 , Edited by admin on Fri Dec 15 19:47:46 UTC 2023
PRIMARY Merck Index
Related Record Type Details
Structure of CETRIMONIUM
PARENT -> SALT/SOLVATE
Related Record Type Details
Structure of CETRIMONIUM
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