[NO NAME]
  Mrv0541 04241205072D          
Created with ChemWriter - http://chemwriter.com
 34 35  0  0  0  0            999 V2000
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M  END
> <DATABASE_ID>
DB00878

> <DATABASE_NAME>
drugbank

> <SMILES>
ClC1=CC=C(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)NC2=CC=C(Cl)C=C2)C=C1

> <INCHI_IDENTIFIER>
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)

> <INCHI_KEY>
InChIKey=GHXZTYHSJHQHIJ-UHFFFAOYSA-N

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_AVERAGE_POLARIZABILITY>
54.59983398247406

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
10

> <JCHEM_EXACT_MASS>
504.203196424

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_FORMULA>
C22H30Cl2N10

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N-(4-chlorophenyl)-1-3-(6-{N-[3-(4-chlorophenyl)carbamimidamidomethanimidoyl]amino}hexyl)carbamimidamidomethanimidamide

> <ALOGPS_LOGP>
2.71

> <JCHEM_LOGP>
4.510369177333333

> <ALOGPS_LOGS>
-4.29

> <JCHEM_MASS>
505.447

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
4

> <JCHEM_PKA_STRONGEST_BASIC>
10.516535500120664

> <JCHEM_POLAR_SURFACE_AREA>
167.58

> <JCHEM_REFRACTIVITY>
181.71459999999993

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.61e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
chlorhexidine

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB00878

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Chlorhexidine

> <SYNONYMS>
Chlorhexidin; Chlorhexidinum; Cloresidina; Clorhexidina

> <BRANDS>
BETASEPT; Cida-Stat; Corsodyl; Dyna-Hex; Exidine; Hexadol; Hibiclens; Hibidil; Hibiscrub; Hibistat; Hibitane; Microderm; Oro-Clense; PAROEX; Perichlor; Peridex; Periochip; Periogard; Periogard Oral Rinse; Pharmaseal Scrub Care; Prevacare R; Rotersept; Sterilon; Tubulicid

> <SALTS>
Chlorhexidine gluconate

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