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Details

Stereochemistry ACHIRAL
Molecular Formula C19H42N.C6Cl5O
Molecular Weight 549.872
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CETRIMONIUM PENTACHLOROPHENOXIDE

SMILES

[O-]C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl.CCCCCCCCCCCCCCCC[N+](C)(C)C

InChI

InChIKey=FDODMJVLXHAZON-UHFFFAOYSA-M
InChI=1S/C19H42N.C6HCl5O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;7-1-2(8)4(10)6(12)5(11)3(1)9/h5-19H2,1-4H3;12H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C6Cl5O
Molecular Weight 265.329
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

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 14:59:23 UTC 2023
Edited
by admin
on Fri Dec 15 14:59:23 UTC 2023
Record UNII
38FD6R5F3N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CETRIMONIUM PENTACHLOROPHENOXIDE
WHO-DD  
Common Name English
1-HEXADECANAMINIUM, N,N,N-TRIMETHYL-, SALT WITH PENTACHLOROPHENOL (1:1)
Common Name English
HEXADECYLTRIMETHYLAMMONIUM PENTACHLOROPHENOXIDE
Systematic Name English
CETRIMONIUM PENTACHLOROPHENATE
Common Name English
Cetrimonium pentachlorophenoxide [WHO-DD]
Common Name English
1-HEXADECANAMINIUM, N,N,N-TRIMETHYL-, SALT WITH 2,3,4,5,6-PENTACHLOROPHENOL (1:1
Common Name English
TRIMETHYLCETYLAMMONIUM PENTACHLOROPHENATE
Common Name English
TRIMETHYLCETYLAMMONIUM PENTACHLOROPHENATE [JAN]
Common Name English
Code System Code Type Description
FDA UNII
38FD6R5F3N
Created by admin on Fri Dec 15 14:59:23 UTC 2023 , Edited by admin on Fri Dec 15 14:59:23 UTC 2023
PRIMARY
SMS_ID
100000126158
Created by admin on Fri Dec 15 14:59:23 UTC 2023 , Edited by admin on Fri Dec 15 14:59:23 UTC 2023
PRIMARY
PUBCHEM
6903
Created by admin on Fri Dec 15 14:59:23 UTC 2023 , Edited by admin on Fri Dec 15 14:59:23 UTC 2023
PRIMARY
EVMPD
SUB33236
Created by admin on Fri Dec 15 14:59:23 UTC 2023 , Edited by admin on Fri Dec 15 14:59:23 UTC 2023
PRIMARY
CAS
87-76-3
Created by admin on Fri Dec 15 14:59:23 UTC 2023 , Edited by admin on Fri Dec 15 14:59:23 UTC 2023
PRIMARY
EPA CompTox
DTXSID80236042
Created by admin on Fri Dec 15 14:59:23 UTC 2023 , Edited by admin on Fri Dec 15 14:59:23 UTC 2023
PRIMARY
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