UCSF

ZINC84400885

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2013 0 No

Popular Name: Chlorhexidine diacetate Chlorhexidine diacetate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 18472-51-0 , 206986-79-0 , 3697-42-5 , 39014-05-6 , 55-56-1 , 56-95-1 , [18472-51-0] , [3697-42-5] , [55-56-1] , [56-95-1]

Other Names:

1,1'-Hexamethylene bis(5-(p-chlorophenyl)biguanide) diacetate; 1,1'-Hexamethylenebis(5-(p-chlorophenyl)biguanide) diacetate; 1,1'-Hexamethylenebis(5-(p-chlorophenyl)biguanide), diacetate; 1,1'-Hexamethylenebis(5-(p-chlorophenyl)biguanide)diacetate; 1,6-Bi

1,1'-Hexamethylene bis(5-(p-chlorophenyl)biguanide), digluconate; 1,1'-Hexamethylenebis(5-(p-chlorophenyl)biguanide) di-D-gluconate; 1,1'-Hexamethylenebis(5-(p-chlorophenyl)biguanide) gluconate; 1,1'-Hexamethylenebis(5-(p-chlorophenyl)biguanide)digluconat

1,1'-hexamethylene bis(5-(p-chlorophenyl)biguanide), digluconate; Hibiclens; Peridex; chlorhexidine D-digluconate; chlorhexidine di-D-gluconate; chlorhexidine digluconate; chlorhexidine gluconate

1,1'-Hexamethylene bis(5-(p-chlorophenyl)biguanide), dihydrochloride; 1,1'-Hexamethylenebis(5-(p-chlorophenyl)biguanide) dihydrochloride; 2,4,11,13-Tetraazatetradecanediimidamide, N,N''-bis(4-chlorophenyl)-3,12-diimino-, dihydrochloride; 2,4,11,13-Tetraaz

1,1'-Hexamethylene bis(5-(p-chlorophenyl)biguanide); Chlorhexidine; N,N'-Bis(4-chlorophenyl)-3,12-diimino-2,4,11,13-tetraazatetradecanediimidamide

1,1_-Hexamethylenebis[5-(4-chlorophenyl)biguanide]

1,6-Bis(N5-[p-chlorophenyl]-N1-biguanido)hexane

18472-51-0; C08038; Chlorhexidine gluconate; Hibitane gluconate

3697-42-5; Chlorhexidine hydrochloride (JP16/USAN); D01345; Dantroche hibitane (TN)

55-56-1; Chlorhexidine; Prestwick_53

56-95-1; C18372; Chlorhexidine acetate

56-95-1; Chlorhexidine acetate (USP); Chlorhexidine diacetate; D07669; Nolvasan (TN)

AY-5312; BMY-30120; CHP; WP-973

AY-5312; BMY-30120; WP-973

Bioscrub

Brian Care

C22H30Cl2N10.2C6H12O7.C3H8O; CHLORAPREP; CHLORHEXIDINE GLUCONATE; ISOPROPYL ALCOHOL; LS-178505

CHEBI:23112; CHEBI:3615

Chlorhexidin [Czech]

Chlorhexidin [Czech];Chlorhexidinum [INN-Latin];Cloresidina [DCIT];Clorhexidina [INN-Spanish]

Chlorhexidine

Chlorhexidine (BAN

Chlorhexidine (digluconate)

Chlorhexidine 2HCl

Chlorhexidine acetate

Chlorhexidine acetate hydrate(1:2:x)

Chlorhexidine Base

Chlorhexidine citrate

Chlorhexidine diacetate hydrate, 98%

Chlorhexidine diacetate salt hydrate

Chlorhexidine digluconate

Chlorhexidine digluconate, 20% w/v aq. soln. (non-sterile)

Chlorhexidine digluconate, 20% w/v aq. soln., non-sterile

Chlorhexidine dihydrochloirde

Chlorhexidine dihydrochloride

Chlorhexidine Gluconate

Chlorhexidine Gluconate (FDA

Chlorhexidine HCl

Chlorhexidine Hydrochloride

Chlorhexidine, 98%+

Chlorhexidinedigluconate

Chlorhexidinum [INN-Latin]

Cida-Stat

Cloresidina [DCIT]

Clorhexidina [INN-Spanish]

Corsodyl

Decanoylacetaldehyde Sodium Sulfide

Dyna-Hex

Exidine

FDA); Chlorhexidine HCl (BAN

Fimeil

Hexadol

Hibiclens

Hibidil

Hibiscrub

Hibisol

Hibispray

Hibistat

Hibitane

INN); Chlorhexidine gluconate (FDA

INN); Chlorhexidine Gluconate (JAN

INN); Chlorhexidine Hydrochloride (BAN

JAN

MFCD00012532

MFCD00068998

MFCD00083599

MFCD00150042

MFCD10566424

Microderm

N/A

Nolvasan

Oro-Clense

Perichlor

Peridex

Periochip

Periogard

Periogard Oral Rinse

Pharmaseal Scrub Care

Prevacare R

Rotersept

Savloclens

Savlon Babycare

Sodium Houttuyfonamide

Soretol

Steri-Stat

Sterido

Sterilon

Superspray

Tubulicid

USAN

USAN); Chlorhexidine Phosphanilate (USAN)

USP

USP); Chlorhexidine (BAN

USP); Chlorhexidine HCl (BAN

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL

Vendor Notes

Note Type Comments Provided By
Mp [°C] 153 - 157 Acros Organics
ALOGPS_SOLUBILITY 2.61e-02 g/l DrugBank-approved
Target Antifection Selleck Chemicals
Indications antiseptic KeyOrganics Bioactives
Patent Database Links EP1532971; EP1618877; EP1787637; EP1882480; EP1949888; US2007190177; US2007202177; WO2007097818; WO2007100776; WO2007110871; WO2007117352; WO2007126777 ChEBI
Patent Database Links EP1561454; EP1595537; EP1645266; EP1655021; EP1666097; EP1685843; EP1685875; EP1688149; EP1693086; EP1700597; EP1787627; EP1787637; EP1797860; EP1797866; EP1882480; EP1941901; EP1949888; EP1952828; EP1964543; EP1982689; EP1990050; US2006182813; US20061885 ChEBI
UniProt Database Links FIEF_KLEPN; MDEP_STAAU ChEBI
H phrase H318: Causes serious eye damage; H302: Harmful if swallowed; H410: Very toxic to aquatic life with long lasting effects Acros Organics
H phrase H319: Causes serious eye irritation Acros Organics
UniProt Database Links MDEP_STAAU ChEBI
Target Others Selleck Chemicals
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing; P26 Acros Organics
R phrase R20/21: Harmful by inhalation and in contact with skin. Acros Organics
R phrase R22: Harmful if swallowed.; R41: Risk of serious damage to eyes.; R50/53: Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Acros Organics
S phrase S25: Avoid contact with eyes. Acros Organics
Hazard XN: Harmful Acros Organics
Hazard XN: Harmful; N: Dangerous for the environment Acros Organics

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.