Octenidine Saccharin structure

Octenidine Saccharin

bis(1,1-dioxo-1,2-benzothiazol-3-one);N-octyl-1-[10-(4-octylimino-1-pyridinyl)decyl]pyridin-4-imine

Also Known As: Octenidine saccharin|octenidine disaccharin|Octenidine saccharin [USAN]|Win 41,464-6|Octenidine saccharin (USAN)|WIN-41464-6|OCTENIDINE DISACCHARIN [MI]|C36-H62-N4 X 2(C7-H5-N-O3-S)|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)|1,1'-Decamethylenebis(1,4-dihydro-4-(octylimino)pyridine) compound with 1,2-benzisothiazolin-3-one 1,1-dioxide (1:2)|1,1-dioxo-1,2-benzothiazol-3-one;N-octyl-1-[10-(4-octyliminopyridin-1-yl)decyl]pyridin-4-imine|1,1-dioxo-1,2-benzothiazol-3-one; N-octyl-1-[10-(4-octyliminopyridin-1-yl)decyl]pyridin-4-imine|1H-1lambda~6~,2-Benzothiazole-1,1,3(2H)-trione--1,1'-(decane-1,10-diyl)bis(N-octylpyridin-4(1H)-imine) (2/1)

CAS: 86767-75-1
Molecular Formula C50H72N6O6S2
Molecular Weight 916.4955 g/mol
LogP 9.8704
Topological Polar Surface Area 161.06 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 8
Rotatable Bonds 25
Exact Mass 916.4955
Monoisotopic Mass 916.4955
Heavy Atoms 64
Complexity 2183.4553

Chemical Identifiers

CAS Number 86767-75-1
SMILES CCCCCCCCN=C1C=CN(C=C1)CCCCCCCCCCN2C=CC(=NCCCCCCCC)C=C2.C1=CC=C2C(=C1)C(=O)NS2(=O)=O.C1=CC=C2C(=C1)C(=O)NS2(=O)=O

Product Overview

Octenidine Saccharin (CAS 86767-75-1), with molecular formula C50H72N6O6S2 and molecular weight 916.4955 g/mol. IUPAC: bis(1,1-dioxo-1,2-benzothiazol-3-one);N-octyl-1-[10-(4-octylimino-1-pyridinyl)decyl]pyridin-4-imine.

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