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Chlorhexidine Dihydrochloride

CAT: 0572-TRC-C335050-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-C335050-5GSize:5 g
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CAS Number
3697-42-5
Synonyms
Chlorhexidine Dihydrochloride; N1,N14-Bis(4-chlorophenyl)-3,12-diimino-2,4,11,13-tetraazatetradecanediimidamide hydrochloride (1:2); N,N''-Bis(4-chlorophenyl)-3,12-diimino-2,4,11,13-tetraazatetradecanediimidamide dihydrochloride; 1,1'-Hexamethylenebis[5-(p-chlorophenyl)biguanide] dihydrochloride; AY 5312; Arlacide H; Chlorhexidine dihydrochloride; Chlorhexidine hydrochloride; Chlorhexidinium dichloride; Chlorohexidine dihydrochloride; Lisium; Sebidin
Hazard Statement
Causes skin irritation.
Purity
>95% (HPLC)
Smiles
Cl.Cl.Clc1ccc(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc2ccc(Cl)cc2)cc1
Molecular Formula
C22 H30 Cl2 N10 . 2 Cl H
Molecular Weight
578.37
InChI
InChI=1S/C22H30Cl2N10.2ClH/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);2*1H
Additionnal Information
IUPAC name: 1-(4-chlorophenyl)-3-[N-[6-[[N-[N-(4-chlorophenyl)carbamimidoyl]carbamimidoyl]amino]hexyl]carbamimidoyl]guanidine;dihydrochloride
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Chlorhexidine Hydrochloride

Chlorhexidine hydrochloride is a member of guanidines.

CAS Number3697-42-5
PubChem CID9571016
IUPAC Name(1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;dihydrochloride
Molecular FormulaC22H32Cl4N10
Molecular Weight578.4
Topological Polar Surface Area178
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count2
Rotatable Bond Count13
Heavy Atom Count36
Formal Charge0
Complexity648
SMILES
C1=CC(=CC=C1N/C(=N/C(=NCCCCCCN=C(/N=C(/NC2=CC=C(C=C2)Cl)\N)N)N)/N)Cl.Cl.Cl
InChI
InChI=1S/C22H30Cl2N10.2ClH/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);2*1H
InChIKey
WJLVQTJZDCGNJN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Chlorhexidine Hydrochloride
CAS: 3697-42-5
CID: 9571016
Formula: C22H32Cl4N10
MW: 578.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight578.4
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count2
Rotatable Bond Count13
Exact Mass578.153602
Monoisotopic Mass576.156552
Topological Polar Surface Area178 Ų
Heavy Atom Count36
Formal Charge0
Complexity648
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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HY-B1145SChlorhexidine-d8 (dihydrochloride)
IC74834-01Chlorhexidine dihydrochloride impurity B
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