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Chlorhexidine-[d8]

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General Information
Catalog: BLP-012696
CAS: 1246816-96-5
Molecular Formula: C22H22D8Cl2N10
Molecular Weight: 51342

Chemical Structure

Description	Chlorhexidine-[d8] 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-d8 Dihydrochloride
IUPAC Name	(1E)-2-[6-[[amino-[(E)-[amino-(4-chloro-2,3,5,6-tetradeuterioanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloro-2,3,5,6-tetradeuterioanilino)methylidene]guanidine
Related CAS	55-56-1 (unlabelled) 2012598-75-1 (dihydrochloride)
Canonical SMILES	C1=CC(=CC=C1NC(=NC(=NCCCCCCN=C(N)N=C(N)NC2=CC=C(C=C2)Cl)N)N)Cl
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)/i5D,6D,7D,8D,9D,10D,11D,12D
InChI Key	GHXZTYHSJHQHIJ-OIIWATDQSA-N
Melting Point	257-259°C
Purity	> 95%
Appearance	White Solid