AG003OSB

3697-42-5 | ChlorhexidineDihydrochloride

AG003OSB

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CAS Number	3697-42-5
Catalog Number	AG003OSB(AGN-PC-0RD5WA)
Chemical Name	ChlorhexidineDihydrochloride
EC Number	223-026-6
IUPAC Name	(1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;dihydrochloride
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
InChI Key	WJLVQTJZDCGNJN-UHFFFAOYSA-N
MDL Number	MFCD00068998
Molecular Formula	C22H32Cl4N10
Molecular Weight	578.3685
SMILES	Cl.Cl.ClC1=CC=C(C=C1)NC(NC(NCCCCCCNC(=N)NC(=N)NC1=CC=C(C=C1)Cl)=N)=N
UNII	E64XL9U38K
Synonyms	Acetate, Chlorhexidine, Chlorhexidine, Chlorhexidine Acetate, Chlorhexidine Hydrochloride, Hydrochloride, Chlorhexidine, MK 412A, MK-412A, MK412A, Novalsan, Sebidin A, Tubulicid, Chlorhexidine dihydrochloride, 3697-42-5, CHLORHEXIDINE HYDROCHLORIDE, Chlorhexidine HCl, Arlacide H, Caswell No. 481F, Chlorhexidinium dichloride, UNII-E64XL9U38K, AY-5312, Chlorhexidine (dihydrochloride), EINECS 223-026-6, chlorhexidinedihydrochloride, EPA Pesticide Chemical Code 481700, Chlorhexidine, Dihydrochloride, E64XL9U38K, C22H32Cl4N10, 2,4,11,13-Tetraazatetradecanediimidamide, N,N''-bis(4-chlorophenyl)-3,12-diimino-, dihydrochloride, 1,1'-Hexamethylenebis(5-(p-chlorophenyl)biguanide) dihydrochloride, Biguanide, 1,1'-hexamethylenebis(5-(p-chlorophenyl)-, dihydrochloride, W-106576, 1,6-bis[N&prime;-(p-Chlorophenyl)-N5-biguanido]hexane, 2HCl, Chlorhexidine 2HCl, 1,1'-Hexamethylene bis(5-(p-chlorophenyl)biguanide), dihydrochloride, 2,4,11,13-Tetraazatetradecanediimidamide, N,N'-bis(4-chlorophenyl)-3,12-diimino-, dihydrochloride, 1-(4-chlorophenyl)-3-[N-[6-[[N-[N-(4-chlorophenyl)carbamimidoyl]carbamimidoyl]amino]hexyl]carbamimidoyl]guanidine;dihydrochloride, AK397372, Dantroche hibitane (TN), Chlorhexidine hydrochloride [USAN:BAN:JAN], SCHEMBL3616, Chlorhexidine dihydrochloirde, Chlorhexidine hydrochloride [USAN:USP:BAN:JAN], DSSTox_CID_27144, DSSTox_RID_82150, DSSTox_GSID_47144, SPECTRUM1500177, C22H30Cl2N10.2HCl, CHEMBL1484251, DTXSID7047144, I +/-OI(c), CHEBI:31393, 2,4,11,13-TEtraazatetradecanamide, 14-[(4-chlorophenyl)amino]-3,12,14-triimino, HMS1920M21, 1308292-89-8, HY-B1145, Tox21_302689, CCG-38942, MFCD00068998, s3067, AKOS015895378, Chlorhexidine dihydrochloride, >=98%, AC-4684, CHM0028851, CS-4749, KS-5084, MCULE-6775826632, NCGC00094621-01, NCGC00094621-02, NCGC00256637-01, Chlorhexidine hydrochloride (JP17/USAN), chlorhexidine hydrochloride dihydrochloride, H762, CAS-3697-42-5, LS-148846, D01345, J10215, 697C425, A823488, C-23269, I06-0622, 1,6-Di(N-p-chlorophenyl-diguanido) hexane dihydrochloride, 1,1'-Hexamethylenebis[5-(4-chlorophenyl)biguanide] Dihydrochloride, Chlorhexidine dihydrochloride, European Pharmacopoeia (EP) Reference Standard, Chlorhexidine Hydrochloride, Pharmaceutical Secondary Standard; Certified Reference Material, (1E)-2-[6-[[azanyl-[(E)-[azanyl-[(4-chlorophenyl)amino]methylidene]amino]methylidene]amino]hexyl]-1-[azanyl-[(4-chlorophenyl)amino]methylidene]guanidine dihydrochloride, 1,6-E<<(N5-[ paragraph signOAE+/-(1/2)>>u]-N1-E<<eO)(1/4) masculineIe pound>>1,1 inverted exclamation marka-(1/4) masculine>>uE<<(5-[ paragraph signOAE+/-(1/2)>>u]E<<eO), 2,4,11,13-Tetraazatetradecanediimidamide, N,N''-bis(4-chlorophenyl)-3,12-diimino-,dihydrochloride, 2-[amino-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexylimino]methyl]-1-(4-chlorophenyl)guanidine dihydrochloride, chlorhexidine, C22H30Cl2N10.2ClH, c1254, C22-H30-Cl2-N10.2Cl-H, CID9571016, B1695, Chlorhexidine dihydrochloride, 96% - 25G 25g, Biguanide, 1,1'-hexamethylenebis[5-(p-chlorophenyl)-, dihydrochloride, CHX,

Complexity	649
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Exact Mass	578.154g/mol
Formal Charge	0
Heavy Atom Count	36
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	8
Isotope Atom Count	0
Molecular Weight	578.368g/mol
Monoisotopic Mass	576.157g/mol
Rotatable Bond Count	13
Topological Polar Surface Area	178A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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