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18472-51-0

Basic Information
CAS No.: 18472-51-0
Name: Chlorhexidine digluconate
Molecular Structure:
Molecular Structure of 18472-51-0 (Chlorhexidine digluconate)
Formula: C34H54Cl2N10O14
Molecular Weight: 897.767
Synonyms: corsodyl;Chlorhexidine digluconate;chlorhexidine gigluconate;placout;septeal;abacil;chlorohexidine digluconate;hibidil;1,1'-Hexamethylenebis(5-[p-chlorophenyl]biguanide);1,1'-Hexamethylenebis[5-(4-chlorophenyl)biguanide] Digluconate;disteryl;1,6-Bis(N5-[p-chlorophenyl]-N1-biguanido)hexane;Chlorhexidin Bigluconate;Chlorhexamed;orahexal;1,1‘-Hexamethylenebis(5-[p-chlorophenyl]biguanide);unisept;
EINECS: 242-354-0
Density: 1.06 g/mL at 25 °C(lit.)
Melting Point: 134 °C
Boiling Point: 699.3 °C at 760 mmHg
Flash Point: 376.7 °C
Solubility: N/A
Appearance: An almost colourless or pale - yellowish liquid, miscible with water,
Hazard Symbols: N
Risk Codes: 50/53
Safety: 61
Transport Information: N/A
PSA: 444.48000
LogP: -0.70240
Synthetic route
3380-34-5

triclosan

18472-51-0

chlorhexidine digluconate

chlorohexidine triclosan complex

Conditions
ConditionsYield
Stage #1: triclosan With sodium hydroxide In water Heating;
Stage #2: chlorhexidine digluconate In water Product distribution / selectivity;
18472-51-0

chlorhexidine digluconate

chlorhexidine triphosphate

Conditions
ConditionsYield
With Sodium tripolyphosphate In water at 20℃;
18472-51-0

chlorhexidine digluconate

chlorhexidine pyrophosphate

Conditions
ConditionsYield
With sodium pyrophosphate In water at 20℃;
18472-51-0

chlorhexidine digluconate

chlorhexidine nitrate

Conditions
ConditionsYield
With calcium(II) nitrate tetrahydrate In water at 20℃;
18472-51-0

chlorhexidine digluconate

chlorhexidine carbonate

Conditions
ConditionsYield
With calcium carbonate In water at 20℃;
18472-51-0

chlorhexidine digluconate

chlorhexidine orthophosphate

Conditions
ConditionsYield
With disodium hydrogenphosphate In water at 20℃;
18472-51-0

chlorhexidine digluconate

chlorhexidine hexametaphosphate

Conditions
ConditionsYield
With sodium hexametaphosphate In water at 20℃;
139-05-9

sodium cyclamate

18472-51-0

chlorhexidine digluconate

chlorhexidine dicyclamate

Conditions
ConditionsYield
In water
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  • Factory Price Chlorhexidine Gluconate CAS 18472-51-0 Chlorhexidine Digluconate

  • Casno:

    18472-51-0

    Factory Price Chlorhexidine Gluconate CAS 18472-51-0 Chlorhexidine Digluconate

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    Company Profile Shanghai CRM New Material Technology Co., Ltd , specializing in the production of research and development of pharmaceutical intermediates, this kind of products with high quality price concessions,welcomed the new and old custome

    Shanghai CRM New Material Technology Co., Ltd specializing in the production of research and development of pharmaceutical intermediates, this kind of products with high quality pr

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Consensus Reports

It is reported in EPA TSCA Inventory.

Specification

The Chlorhexidine digluconate, with the CAS registry number 18472-51-0, is also known as 1,1'-Hexamethylenebis(5-[p-chlorophenyl]biguanide).It belongs to the product categories of Medicine and biological chemistry.Its EINECS number is 242-354-0. This chemical's molecular formula is C22H30Cl2N10.2(C6H12O7) and molecular weight is 897.56. What's more,Its systematic name is ,4,11,13-Tetraazatetradecanediimidamide,N,N''-bis(4-chlorophenyl)-3,12-diimino-,di-D-gluconate.

Physical properties about Acetophenone are: (1)ACD/LogP: 4.931; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 1.93; (4)ACD/LogD (pH 7.4): 1.93; (5)ACD/BCF (pH 5.5): 3.29; (6)ACD/BCF (pH 7.4): 3.30; (7)ACD/KOC (pH 5.5): 11.46; (8)ACD/KOC (pH 7.4): 11.47; (9)#H bond acceptors: 10; (10)#H bond donors: 10; (11)#Freely Rotating Bonds: 11 ; (12)Flash Point: 376.7 °C; (13)Enthalpy of Vaporization: 102.37 kJ/mol; (14)Boiling Point: 699.3 °C at 760 mmHg; (15)Vapour Pressure: 2.11E-19 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:Clc2ccc(N/C(=N/C(=N/CCCCCC/N=C(/N=C(\N)Nc1ccc(Cl)cc1)N)N)N)cc2.O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO;
(2)Std. 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;
(3)Std. InChIKey:YZIYKJHYYHPJIB-UUPCJSQJSA-N.

The toxicity data of Chlorhexidine digluconate as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 12900ug/kg (12.9mg/kg)   Drugs in Japan Vol. 6, Pg. 255, 1982.
mouse LD50 oral 1260mg/kg (1260mg/kg)   Drugs in Japan Vol. 6, Pg. 255, 1982.
mouse LD50 subcutaneous 1140mg/kg (1140mg/kg)   Drugs in Japan Vol. 6, Pg. 255, 1982.
rat LD50 intravenous 24200ug/kg (24.2mg/kg)   Drugs in Japan Vol. 6, Pg. 255, 1982.
rat LD50 oral 2gm/kg (2000mg/kg)   Drugs in Japan Vol. 6, Pg. 255, 1982.
rat LD50 subcutaneous 3320mg/kg (3320mg/kg)   Drugs in Japan Vol. 6, Pg. 255, 1982