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Reference substances

Currently viewing:
IUPAC name:
N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(imidodicarbonimidic diamide)]

Inventory

EC number:
200-238-7
EC name:
Chlorhexidine
CAS number:
55-56-1
CAS number:
55-56-1
Synonyms
Names:
1, 1'-Hexamethylenebis (5-(p-chlorophenyl) biguanide)
1,1'-Hexamethylenebis[5-(p-chlorophenyl)biguanide]
1,1′-Hexamethylenbis[5-(4-chlorphenyl)biguanide]
1,6-Bis[5-(p-chlorophenyl)biguanidino]hexane
1,6-Di(N-p-chlorophenylbiguanidino)hexane
1.6-Bis (N-p-chlorophenyl-biguanido)-hexane
Biguanide, 1,1'-hexamethylenebis[5-(p-chlorophenyl)-
chlorhexidine
Identifier:
IUPAC name
1,1'-Hexamethylenebis[5-(p-chlorophenyl)biguanide]
Identifier:
other: InChl
InChI=1S/C22H30Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34)
Identifier:
other: SMILES notation
N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1
N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(imidodicarbonimidic diamide)]

Molecular and structural information

Molecular formula:
C22H30Cl2N10
Molecular weight:
505.447
SMILES notation:
Clc1ccc(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc2ccc(Cl)cc2)cc1
InChl:
InChI=1/C22H30Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34)
Structural formula:
Chemical structure

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