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Product Overview

Product Code

TRC-C335052

CAS Number

1246816-96-5

Product Format

Neat

Molecular Formula

C22H24D8Cl4N10

Molecular Weight

586.42

API Family

Chlorhexidine, Chlorhexidine Gluconate

Product Categories

Additional pharmaceutical toxicology reference materials, TRC, Metabolites, Stable isotopes, Drug derivatives & metabolites, API Reference Standards & Research Materials, Stable isotopes, Stable Isotope Labelled Analytical Standards, Pharmaceutical Toxicology Reference Materials , Pharmaceutical Toxicology Reference Materials

Product Type

Stable Isotope Labelled, Bioactive Small Molecule, API

Unlabelled CAS Number

3697-42-5

Purity

>95% (HPLC)

Documentation

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Product Information

Chemical Data

Analyte Name

Chlorhexidine-d8 Dihydrochloride

CAS Number

1246816-96-5

Molecular Formula

C22H24D8Cl4N10

Molecular Weight

586.42

Accurate Mass

512.2534

SMILES

N=C(NC(NCCCCCCNC(NC(NC1=C([2H])C([2H])=C(Cl)C([2H])=C1[2H])=N)=N)=N)NC2=C([2H])C([2H])=C(Cl)C([2H])=C2[2H]

InChI

InChI=1S/C22H30Cl2N10/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)

IUPAC

(1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine

Unlabelled CAS Number

3697-42-5

SIL Type

Deuterium

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API; Stable Isotope Labelled

Product Format

Neat

API Family

Chlorhexidine; Chlorhexidine Gluconate

Purity

>95% (HPLC)

Product Description

It is a bisbiguanide with bacteriostatic activity. Antiseptic

References: Davies, G.E., et al.: Br. J. Pharmacol., 9, 192 (1954), Foulkes, D.M., et al.: J. Periodontal Res., 8, 55 (1973),

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