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Substance Name: Octenidine saccharin [USAN]
RN: 86767-75-1
UNII: R337868TDW
InChIKey: OBHFLBIBWSFADO-UHFFFAOYSA-N

Classification Code

  • Dental Plaque Inhibitor

Molecular Formula

  • C36-H62-N4.C14-H10-N2-O6-S2

Molecular Weight

  • 917.2868
 
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Names and Synonyms

Name of Substance

  • Octenidine saccharin [USAN]

Synonyms

  • 1,1'-Decamethylenebis(1,4-dihydro-4-(octylimino)pyridine) compound with 1,2-benzisothiazolin-3-one 1,1-dioxide (1:2)
  • Octenidine saccharin
  • UNII-R337868TDW
  • Win 41,464-6

Systematic Name

  • 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)

Registry Numbers

CAS Registry Number

  • 86767-75-1

FDA UNII

  • R337868TDW

System Generated Number

  • 0086767751

Molecular Formulas

Molecular Formula

  • C36-H62-N4.C14-H10-N2-O6-S2

Molecular Formula Fragments

  • C14-H10-N2-O6-S2
  • C36-H62-N4
  • COMPONENT

Structure Descriptors

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)

InChIKey

OBHFLBIBWSFADO-UHFFFAOYSA-N

Smiles

CCCCCCCCN=c1ccn(cc1)CCCCCCCCCCn2ccc(=NCCCCCCCC)cc2.c1ccc2c(c1)C(=O)NS2(=O)=O.c1ccc2c(c1)C(=O)NS2(=O)=O