Products for Research Use Only
RegisterLogin

Chlorhexidine digluconate

CAT: 0607-B3525-50Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0607-B3525-50Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
antiseptic
CAS Number
18472-51-0
Field of Research
Microbiology & Virology Antibiotic
Purity
0.9807
Form
An oil
Solubility
≥36.4 mg/mL in DMSO; insoluble in EtOH; ≥45.7 mg/mL in H2O
Smiles
ClC1=CC=C(NC(NC(NCCCCCCNC(NC(NC2=CC=C(Cl)C=C2)=N)=N)=N)=N)C=C1.OC[C@](O)([H])[C@](O)([H])[C@@](O)([H])[C@](O)([H])C(O)=O.OC[C@](O)([H])[C@](O)([H])[C@@](O)([H])[C@](O)([H])C(O)=O
Molecular Formula
C34H54Cl2N10O14
Molecular Weight
897.76
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Chlorhexidine Gluconate

Chlorhexidine gluconate is a D-gluconate adduct and an organochlorine compound. It has a role as an antibacterial agent. It is functionally related to a chlorhexidine.

CAS Number18472-51-0
PubChem CID9552081
IUPAC Name(1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid)
Molecular FormulaC34H54Cl2N10O14
Molecular Weight897.8
Topological Polar Surface Area454
Hydrogen Bond Donor Count18
Hydrogen Bond Acceptor Count16
Rotatable Bond Count23
Heavy Atom Count60
Formal Charge0
Complexity819
SMILES
C1=CC(=CC=C1N/C(=N/C(=NCCCCCCN=C(/N=C(/NC2=CC=C(C=C2)Cl)\N)N)N)/N)Cl.C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O.C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=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
Chemical Structure
2D Structure
2D structure of Chlorhexidine Gluconate
CAS: 18472-51-0
CID: 9552081
Formula: C34H54Cl2N10O14
MW: 897.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight897.8
Hydrogen Bond Donor Count18
Hydrogen Bond Acceptor Count16
Rotatable Bond Count23
Exact Mass896.3198018
Monoisotopic Mass896.3198018
Topological Polar Surface Area454 Ų
Heavy Atom Count60
Formal Charge0
Complexity819
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

Related Products

CatalogName
BA1033-500Chlorhexidine
B1695-50Chlorhexidine HCl
C7112-100Chlorhexidine diacetate
B1695-5.1Chlorhexidine HCl
C7112-200Chlorhexidine diacetate

Alternative Products

CatalogName
TBW00044Chlorhexidine digluconate
C04008Chlorhexidine (digluconate)
sc-252570AChlorhexidine digluconate solution
A18123-5000Chlorhexidine digluconate 5g
A18123-500Chlorhexidine digluconate 500mg
HY-B0608RChlorhexidine (digluconate) (Standard)
TRC-C292770-50GChlorhexidine Digluconate (In 20% solution)
TRC-C292770-10GChlorhexidine Digluconate (20% in water)
AR-C07142-01Chlorhexidine Digluconate Impurity 2
GP2120-25gChlorhexidine digluconate, 20% in water

Popular Products