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Details

Stereochemistry ACHIRAL
Molecular Formula C36H62N4.2C7H5NO3S
Molecular Weight 917.273
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OCTENIDINE SACCHARIN

SMILES

O=C1NS(=O)(=O)C2=C1C=CC=C2.O=C3NS(=O)(=O)C4=C3C=CC=C4.CCCCCCCCN=C5C=CN(CCCCCCCCCCN6C=CC(C=C6)=NCCCCCCCC)C=C5

InChI

InChIKey=OBHFLBIBWSFADO-UHFFFAOYSA-N
InChI=1S/C36H62N4.2C7H5NO3S/c1-3-5-7-9-15-19-27-37-35-23-31-39(32-24-35)29-21-17-13-11-12-14-18-22-30-40-33-25-36(26-34-40)38-28-20-16-10-8-6-4-2;2*9-7-5-3-1-2-4-6(5)12(10,11)8-7/h23-26,31-34H,3-22,27-30H2,1-2H3;2*1-4H,(H,8,9)

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 C36H62N4
Molecular Weight 550.9043
Charge 0
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 Fri Dec 15 17:18:32 UTC 2023
Edited
by admin
on Fri Dec 15 17:18:32 UTC 2023
Record UNII
R337868TDW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
OCTENIDINE SACCHARIN
USAN  
USAN  
Official Name English
1-OCTANAMINE, N,N'-(1,10-DECANEDIYLDI-1(4H)-PYRIDINYL-4-YLIDENE)BIS-, COMPOUND WITH 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE (1:2)
Common Name English
OCTENIDINE SACCHARIN [USAN]
Common Name English
OCTENIDINE DISACCHARIN [MI]
Common Name English
WIN 41,464-6
Code English
WIN-41464-6
Code English
1,1'-DECAMETHYLENEBIS(1,4-DIHYDRO-4-(OCTYLIMINO)PYRIDINE) COMPOUND WITH 1,2-BENZISOTHIAZOLIN-3-ONE 1,1-DIOXIDE (1:2)
Common Name English
OCTENIDINE DISACCHARIN
MI  
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C28394
Created by admin on Fri Dec 15 17:18:32 UTC 2023 , Edited by admin on Fri Dec 15 17:18:32 UTC 2023
Code System Code Type Description
PUBCHEM
3047799
Created by admin on Fri Dec 15 17:18:32 UTC 2023 , Edited by admin on Fri Dec 15 17:18:32 UTC 2023
PRIMARY
NCI_THESAURUS
C80861
Created by admin on Fri Dec 15 17:18:32 UTC 2023 , Edited by admin on Fri Dec 15 17:18:32 UTC 2023
PRIMARY
CAS
86767-75-1
Created by admin on Fri Dec 15 17:18:32 UTC 2023 , Edited by admin on Fri Dec 15 17:18:32 UTC 2023
PRIMARY
ChEMBL
CHEMBL1199480
Created by admin on Fri Dec 15 17:18:32 UTC 2023 , Edited by admin on Fri Dec 15 17:18:32 UTC 2023
PRIMARY
EPA CompTox
DTXSID10235806
Created by admin on Fri Dec 15 17:18:32 UTC 2023 , Edited by admin on Fri Dec 15 17:18:32 UTC 2023
PRIMARY
USAN
W-1
Created by admin on Fri Dec 15 17:18:32 UTC 2023 , Edited by admin on Fri Dec 15 17:18:32 UTC 2023
PRIMARY
MERCK INDEX
m8113
Created by admin on Fri Dec 15 17:18:32 UTC 2023 , Edited by admin on Fri Dec 15 17:18:32 UTC 2023
PRIMARY Merck Index
FDA UNII
R337868TDW
Created by admin on Fri Dec 15 17:18:32 UTC 2023 , Edited by admin on Fri Dec 15 17:18:32 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY