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Chlorhexidine-[d8] dihydrochloride

General Information
Catalog: BLP-002218
CAS: 2012598-75-1
Molecular Formula: C22H22D8Cl2N10.2HCl
Molecular Weight: 586.42
Chemical Structure
Chlorhexidine-[d8] dihydrochloride
Description Chlorhexidine-[d8] dihydrochloride, is the labelled analogue of Chlorhexidine dihydrochloride. Chlorhexidine hydrochloride is an antiseptic effective against a wide variety of gram-negative and gram-positive organisms.
Synonyms Chlorhexidine dihydrochloride D8
IUPAC Name 2-[6-[[amino-[[amino-(4-chloro-2,3,5,6-tetradeuterioanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloro-2,3,5,6-tetradeuterioanilino)methylidene]guanidine;dihydrochloride
Related CAS 3697-42-5 (unlabelled) 1246816-96-5 (free base)
Canonical SMILES C1=CC(=CC=C1NC(=NC(=NCCCCCCN=C(N)N=C(N)NC2=CC=C(C=C2)Cl)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/i5D,6D,7D,8D,9D,10D,11D,12D;;
InChI Key WJLVQTJZDCGNJN-ZYNYSASXSA-N
Melting Point 257-259°C
Purity 95% (CP); 98% atom D
Solubility Soluble in DMSO, Methanol
Appearance White Solid
Storage Store at -20°C, under inert atmosphere

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