Mrv0541 02231217322D          

 23 22  0  0  0  0            999 V2000
   10.8634    5.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5500    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2894    5.3499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9760    5.8072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7154    5.4413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4020    5.8987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1414    5.5328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8280    5.9902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5674    5.6243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2540    6.0817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9935    5.7158    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   17.6275    4.9764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3594    6.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7329    5.3499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4195    5.8072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1589    5.4413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8455    5.8987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5849    5.5328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2715    5.9902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0109    5.6243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6975    6.0817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4369    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1235    6.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  CHG  1  11   1
M  END
> <DATABASE_ID>
DB04221

> <DATABASE_NAME>
drugbank

> <SMILES>
CCCCCCCCCC[N+](C)(C)CCCCCCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C22H48N/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2/h5-22H2,1-4H3/q+1

> <INCHI_KEY>
JGFDZZLUDWMUQH-UHFFFAOYSA-N

> <FORMULA>
C22H48N

> <MOLECULAR_WEIGHT>
326.6232

> <EXACT_MASS>
326.378675541

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
71

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
1.0

> <JCHEM_AVERAGE_POLARIZABILITY>
47.15474808809256

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
bis(decyl)dimethylazanium

> <ALOGPS_LOGP>
4.54

> <JCHEM_LOGP>
4.010454858528254

> <ALOGPS_LOGS>
-7.97

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
1

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
118.86089999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
18

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.91e-06 g/l

> <JCHEM_TRADITIONAL_IUPAC>
biotin

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB04221

> <SECONDARY_ACCESSION_NUMBERS>
EXPT00009; DB11287

> <DRUG_GROUPS>
approved; experimental

> <GENERIC_NAME>
Didecyldimethylammonium

> <SYNONYMS>
Didecyl-dimethyl-ammonium; Didecyldimethylammonium cation; Didecyldimethylammonium ion; Didecyldimonium

> <PRODUCTS>
(Aenc) Disinfectant WATER-FREE HAND FOAM; 30 Soft Wipes; 60 Soft Wipes; Alcohol Wet Tissue; Alcohol Wet Wipes; Alcohol Wipes; Antibacterial Wet Wipes; Antibacterial Wipes; Atala Bio Hand Sanitizer; Atala Bio Liquid Hand Sanitizer; Beauty New Hand Sanitizer; Bioprep; Bioprep Liq; Cart Cleaning Wipes; Chloroqcare Antiseptic Hand Care; Cleansing Disinfection Wipes; Clinicare pro Surface Sanitizer; Dictum Antibacterial Towel; Disinfect Wipes; Disinfectant Cleaning Wipes; Disinfectant Wipes; Disinfectant wet wipe; Disinfectant wipes; Disinfecting Wipes; Disinfecting wet wipe; FVJIA disinfectant; Hammer Wipes; Hand Sanitizer; Hand Sanitizing Wipes; Hand Wash; Hand-Free Antibacterial hand sanitizer; KLEANMANN - Hand Sanitizer and Surface Disinfectant; Keep Clean Surface Cleaning Wipes; Kleen Freak Disinfecting Wipes; MEOLY Milia Remover Serum; Milia Remover Serum; OKGO Disinfectant; Oriental Antibacterial Wipes; Pure Formula 1 advanced wipes 100wipes 01; Pure Formula 1 advanced wipes 50wipes 01; Puricia Sanitizing Wipes ( Blossom); Puricia Sanitizing Wipes (Citrus); Puricia Sanitizing Wipes (Lavender); Puricia Sanitizing Wipes (Mint); Quick Defense 4m Disinfectant Wipes; S D S; SANIVIR Gel Plus Hand Sanitizer; SANIVIR Hands, Body, and Surfaces Sanitizer; SHIERJIE DISINFECTING SOFT WIPES Antibacterial; Sanitary wipes; Sanitize/Disinfect Wipes; Sanitizing Wet Wipes; Sanitizing Wipes; Septi-san; Shunfa Anti-Bacteria Spra; Soft Care Antiseptic Hand Soap; Steri Hand sanitizer without washing; Sterilized Wet Wipes; Sterite Element; Sterite Neutrum; Sterite Plus; Surface Disinfectant; VIR-U-CLEAN Disinfectant Cleaning Wipes; WDC Antibacterial Wipes; WSINC Disinfecting Wipes; Wet Wipes; Wet wipes; Yeasky antibacterial hand wipes

> <SALTS>
Didecyldimethylammonium chloride

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