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Reference substances

Reference substances

Currently viewing:
IUPAC name:
N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(imidodicarbonimidic diamide)] - D-gluconic acid (1:2)

Inventory

EC number:
242-354-0
EC name:
D-gluconic acid, compound with N,N''-bis(4-chlorophenyl)-3,12-diimino-2,4,11,13-tetraazatetradecanediamidine (2:1)
CAS number:
18472-51-0
CAS number:
18472-51-0
Synonyms
Names:
1,1'-Hexamethylenebis[5-(4-chlorophenyl)biguanide] digluconate
1,1'-Hexamethylenebis[5-(p-chlorophenyl)biguanide] digluconate
1,1′-(Hexane-1,6-diyl)bis[5-(4-chlorophenyl)biguanide] di-d-gluconate
1,6-Bis [5-(4-chlorophenyl)-di-guanido]-hexane diglu-conate N,N"-1,6-Hexadiyl-bis[N-4-chlorophenyl-imidodicarbon-imiddiamide] digluconate
1,6-Bis(4-chlorophenyldiguanino)hexane digluconate
1,6-Bis(p-chlorophenyldiguanido)hexane digluconate
1,6-Bis[N5-(p-chlorophenyl)biguanido]hexane digluconate
1:6-Di-(N1:N1-4-chlorophenyl-di-guanido-N5:N5)-hexane digluconate
Bis(p-chlorophenyl)diguanidohexane digluconate
CHDG
Chlorhexidine bigluconate
Chlorhexidine di-D-gluconate
Chlorhexidine digluconate
Chlorhexidine gluconate
Chlorohexidine digluconate
D-Gluconic acid comp. with N,N'-bis(4-chlorophenyl)-3,12-diimino-2,4,11,13-tetraazatetradecane-diimidamide (2:1)
D-Gluconic acid, compd. with 1,1'-hexamethylenebis[5-(p-chlorophenyl)biguanide] (2:1)
D-Gluconic acid, compd. with N,N''-bis(4-chlorophenyl) -3,12-diimino-2,4,11,13-tetraazatetradecanediimidamide (2:1)
D-Gluconic acid, compd. with N,N''-bis(4-chlorophenyl)-3,12-diimino-2,4,11,13-tetraazatetradecanediimidamide (2:1)
D-Gluconic acid, compound with N,N''-bis(4-chlorophenyl)-3,12-diimino-2,4,11,13-tetraazatetradecanediimidamide (2:1)
Gluconic acid, compd. with 1,1'-hexamethylenebis[5-(p-chlorophenyl)biguanide] (2:1), D-
N,N"-Bis-(4-chlorophenyl)-3,12-di-imino-2,4,11,13, tetraazatetradecanodiimidamid Digluconate
Identifier:
IUPAC name
bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid); N-(4-chlorophenyl)-1-3-(6-{N-[3-(4-chlorophenyl)carbamimidamidomethanimidoyl]amino}hexyl)carbamimidamidomethanimidamide
Identifier:
IUPAC name
N,N''-Bis(4-chlorphenyl)-3,12-diimino-2,4,11,13-tetraazatetradecandiimidamid compound with D-Gluconic acid (1:2)
Identifier:
other: Molecular formula
C22H30Cl2N10.2C6H12O7
Identifier:
other: SMILES notation
OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O.Clc1ccc(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc2ccc(Cl)cc2)cc1
Identifier:
other: chemical name
1,1’- Hexamethylenebis[5- (p-chlorophenyl) biguanide] di-D-gluconate
Identifier:
other: chemical name
2, 4, 11, 13 – Tetraazatetradecanediimidamide N,N’’-bis(4-chlorophenyl) – 3,12-diimino–di D-gluconate
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); gluconate: InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/p-1
Identifier:
other: SMILES notation
N=C(NC(NC1=CC=C(Cl)C=C1)=N)NCCCCCCNC(NC(NC2=CC=C(Cl)C=C2)=N)=N; Gluconate: O[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)C([O-])=O
N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(imidodicarbonimidic diamide)] - D-gluconic acid (1:2)

Molecular and structural information

Molecular formula:
C22H30Cl2N10.2C6H12O7
Molecular weight:
ca. 898
SMILES notation:
OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O.Clc1ccc(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc2ccc(Cl)cc2)cc1
InChl:
InChI=1/C22H30Cl2N10.2C6H12O7/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;2*7-1-2(8)3(9)4(10)5(11)6(12)13/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34);2*2-5,7-11H,1H2,(H,12,13)
Structural formula:
Chemical structure

Related substances

Identifier:
CAS number
Identity:
18472-51-0