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Substance Name: Hexamidine diparaben
RN: 93841-83-9
UNII: XBD058OZ1M
InChIKey: XJJROVKTVSNUOG-UHFFFAOYSA-N

Molecular Formula

  • C20-H26-N4-O2.2C7-H6-O3

Molecular Weight

  • 630.6942
 
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Names and Synonyms

Name of Substance

  • Hexamidine diparaben

Synonyms

  • EINECS 299-055-3
  • UNII-XBD058OZ1M

Systematic Name

  • p-Hydroxybenzoic acid, compound with p,p'-(hexane-1,6-diylbis(oxy))bis(benzamidine) (2:1)

Registry Numbers

CAS Registry Number

  • 93841-83-9

FDA UNII

  • XBD058OZ1M

System Generated Number

  • 0093841839

Molecular Formulas

Molecular Formula

  • C20-H26-N4-O2.2C7-H6-O3

Molecular Formula Fragments

  • C20-H26-N4-O2
  • C7-H6-O3
  • COMPONENT

Structure Descriptors

InChI

InChI=1S/C20H26N4O2.2C7H6O3/c21-19(22)15-5-9-17(10-6-15)25-13-3-1-2-4-14-26-18-11-7-16(8-12-18)20(23)24;2*8-6-3-1-5(2-4-6)7(9)10/h5-12H,1-4,13-14H2,(H3,21,22)(H3,23,24);2*1-4,8H,(H,9,10)

InChIKey

XJJROVKTVSNUOG-UHFFFAOYSA-N

Smiles

NC(=N)c1ccc(OCCCCCCOc2ccc(cc2)C(=N)N)cc1.OC(=O)c3ccc(O)cc3.OC(=O)c4ccc(O)cc4