U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C27H42NO.Cl
Molecular Weight 432.081
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OCTAFONIUM CHLORIDE

SMILES

[Cl-].CC[N+](CC)(CCOC1=CC=C(C=C1)C(C)(C)CC(C)(C)C)CC2=CC=CC=C2

InChI

InChIKey=DPECLNSLLIQJJO-UHFFFAOYSA-M
InChI=1S/C27H42NO.ClH/c1-8-28(9-2,21-23-13-11-10-12-14-23)19-20-29-25-17-15-24(16-18-25)27(6,7)22-26(3,4)5;/h10-18H,8-9,19-22H2,1-7H3;1H/q+1;/p-1

HIDE SMILES / InChI
Name Type Language
OCTAFONIUM CHLORIDE
INN   MART.   WHO-DD  
INN  
Official Name English
Octafonium chloride [WHO-DD]
Common Name English
BENZYLDIETHYL(2-(4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY)ETHYL)AMMONIUM CHLORIDE
Systematic Name English
BENSYLDIMETHYL-OCTADECYLAMMONIUM HYDOXIDE CHLORIDE
Common Name English
OCTAPHEN
Systematic Name English
OCTAFONIUM CHLORIDE [MART.]
Common Name English
OCTAPHONIUM CHLORIDE
Common Name English
NSC-141119
Code English
octafonium chloride [INN]
Common Name English
PHENOCTIDE [MI]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C28394
Created by admin on Fri Dec 15 15:35:25 GMT 2023 , Edited by admin on Fri Dec 15 15:35:25 GMT 2023
Code System Code Type Description
FDA UNII
5SEY06I0DA
Created by admin on Fri Dec 15 15:35:25 GMT 2023 , Edited by admin on Fri Dec 15 15:35:25 GMT 2023
PRIMARY
EVMPD
SUB09402MIG
Created by admin on Fri Dec 15 15:35:25 GMT 2023 , Edited by admin on Fri Dec 15 15:35:25 GMT 2023
PRIMARY
ECHA (EC/EINECS)
201-078-0
Created by admin on Fri Dec 15 15:35:25 GMT 2023 , Edited by admin on Fri Dec 15 15:35:25 GMT 2023
PRIMARY
CAS
78-05-7
Created by admin on Fri Dec 15 15:35:25 GMT 2023 , Edited by admin on Fri Dec 15 15:35:25 GMT 2023
PRIMARY
NSC
141119
Created by admin on Fri Dec 15 15:35:25 GMT 2023 , Edited by admin on Fri Dec 15 15:35:25 GMT 2023
PRIMARY
EPA CompTox
DTXSID50878675
Created by admin on Fri Dec 15 15:35:25 GMT 2023 , Edited by admin on Fri Dec 15 15:35:25 GMT 2023
PRIMARY
ChEMBL
CHEMBL2110928
Created by admin on Fri Dec 15 15:35:25 GMT 2023 , Edited by admin on Fri Dec 15 15:35:25 GMT 2023
PRIMARY
SMS_ID
100000083860
Created by admin on Fri Dec 15 15:35:25 GMT 2023 , Edited by admin on Fri Dec 15 15:35:25 GMT 2023
PRIMARY
PUBCHEM
66211
Created by admin on Fri Dec 15 15:35:25 GMT 2023 , Edited by admin on Fri Dec 15 15:35:25 GMT 2023
PRIMARY
MERCK INDEX
m8623
Created by admin on Fri Dec 15 15:35:25 GMT 2023 , Edited by admin on Fri Dec 15 15:35:25 GMT 2023
PRIMARY Merck Index
INN
2055
Created by admin on Fri Dec 15 15:35:25 GMT 2023 , Edited by admin on Fri Dec 15 15:35:25 GMT 2023
PRIMARY
NCI_THESAURUS
C90986
Created by admin on Fri Dec 15 15:35:25 GMT 2023 , Edited by admin on Fri Dec 15 15:35:25 GMT 2023
PRIMARY