N,N''''-1,6-Hexanediylbis[N'-(4-chlorophenyl)(imidodicarbonimidic diamide)] - D-gluconic acid (1:2)

Basic Information

View in Editor

CAS Number

18472-51-0

Molecular Formula

C34H54Cl2N10O14

Molecular Weight

897.77 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

134 °C

Boiling Point

699.3 °C at 760 mmHg

Flash Point

376.7 °C

Solubility

water: soluble50% (w/v)

SMILES

View in Editor

c1cc(ccc1NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc2ccc(cc2)Cl)Cl.C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O.C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O

InChI

InChI=1S/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)/t;2*2-,3-,4+,5-/m.11/s1

InChIKey

YZIYKJHYYHPJIB-UUPCJSQJSA-N

LogP

-2.810919999999994

Topological Polar Surface Area

444.48000000000013 Å²

Hydrogen Bond Donor/Acceptor

22 / 24

Complexity

819

Safety Information

View Safety Information

GHS Hazard Pictograms

H410

Hazard Statement

H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class 9 Class 9

Sensitiveness

Light Sensitive

Toxicity

LD50 in mice (mg/kg): 22 i.v.; 1800 orally (Foulkes)

Synonyms & References

English

Chlorhexidine digluconate
1,1'-Hexamethylenebis(5-[p-chlorophenyl]biguanide)
Chlorhexidin Bigluconate
Chlorhexidine (digluconate)
Chlorhexidine Gluconate
1,1‘-Hexamethylenebis(5-[p-chlorophenyl]biguanide)
1,1'-Hexamethylenebis[5-(4-chlorophenyl)biguanide] Digluconate
1,6-Bis(N5-[p-chlorophenyl]-N1-biguanido)hexane
abacil
Chlorhexamed
chlorhexidine gigluconate
chlorohexidine digluconate
corsodyl
disteryl
hibidil
orahexal
placout
septeal
unisept
D00858
d-)(2:1
1,1′-Hexamethylenebis(5-[p-chlorophenyl]biguanide)
1,6-Bis(N5-[p-chlorophenyl]-N1-biguanido)hexane; 1,1′-Hexamethylenebis(5-[p-chlorophenyl]biguanide)
1,1'-Hexamethylenebis[5-(4-chlorophenyl)biguanide] Digluconate (20% in Water)
N,N’-bis(4-chlorophenyl)-3,12-diimino-2,4,11,13-tetraazatetradecanediimidamide
gluconate (1:2)

MDL Number

MFCD00083599

Customs Code

3004909090

FAQ

What is N,N''''-1,6-Hexanediylbis[N'-(4-chlorophenyl)(imidodicarbonimidic diamide)] - D-gluconic acid (1:2) (CAS: 18472-51-0)?

N,N''''-1,6-Hexanediylbis[N'-(4-chlorophenyl)(imidodicarbonimidic diamide)] - D-gluconic acid (1:2), with CAS number 18472-51-0, is a complex organic compound commonly used in pharmaceutical and industrial applications. It contains a D-gluconic acid moiety linked to two imidodicarbonimidic diamide groups via a hexanediyl bridge. The compound exhibits specific chemical and physical properties that make it suitable for targeted uses, such as in drug delivery systems or as a stabilizing agent.

What are the main uses of N,N''''-1,6-Hexanediylbis[N'-(4-chlorophenyl)(imidodicarbonimidic diamide)] - D-gluconic acid (1:2) (CAS: 18472-51-0)?

This compound is primarily used in pharmaceutical formulations as a chelating agent and in the development of drug delivery systems due to its ability to bind metal ions and enhance bioavailability. It also finds applications in industrial processes for its stabilizing properties and in research for studying complex molecular interactions and polymer chemistry.

Is N,N''''-1,6-Hexanediylbis[N'-(4-chlorophenyl)(imidodicarbonimidic diamide)] - D-gluconic acid (1:2) (CAS: 18472-51-0) safe?

N,N''''-1,6-Hexanediylbis[N'-(4-chlorophenyl)(imidodicarbonimidic diamide)] - D-gluconic acid (1:2) is generally considered safe when handled properly. However, it is important to follow standard safety protocols, including wearing protective gloves and goggles. As with many chemical compounds, it should be used in well-ventilated areas and in compliance with OSHA and EPA guidelines to ensure safe handling and minimize exposure risks.

How should N,N''''-1,6-Hexanediylbis[N'-(4-chlorophenyl)(imidodicarbonimidic diamide)] - D-gluconic acid (1:2) (CAS: 18472-51-0) be stored?

This compound should be stored in a cool, dry, and dark place, away from moisture and direct light. It is recommended to keep it in a sealed container at a temperature below 25°C. Storage conditions should also prevent exposure to air and incompatible substances to maintain stability and prolong shelf life.