Mrv0541 04191212122D          

 12 12  0  0  1  0            999 V2000
   -0.7145   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  5  6  1  0  0  0  0
  3  7  1  1  0  0  0
  6  8  1  6  0  0  0
  1  9  1  1  0  0  0
  2 10  1  6  0  0  0
  4 11  1  1  0  0  0
  5 12  1  1  0  0  0
M  END
> <DATABASE_ID>
DB00431

> <DATABASE_NAME>
drugbank

> <SMILES>
Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl

> <INCHI_IDENTIFIER>
InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3-,4+,5+,6+

> <INCHI_KEY>
JLYXXMFPNIAWKQ-GNIYUCBRSA-N

> <FORMULA>
C6H6Cl6

> <MOLECULAR_WEIGHT>
290.83

> <EXACT_MASS>
287.860066434

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
18

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.0

> <JCHEM_AVERAGE_POLARIZABILITY>
23.083626690760614

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,2S,3r,4R,5S,6r)-1,2,3,4,5,6-hexachlorocyclohexane

> <ALOGPS_LOGP>
3.94

> <JCHEM_LOGP>
4.345541484

> <ALOGPS_LOGS>
-4.73

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
54.081

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.47e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
biotin

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB00431

> <SECONDARY_ACCESSION_NUMBERS>
APRD01072

> <DRUG_GROUPS>
approved; withdrawn

> <GENERIC_NAME>
Lindane

> <SYNONYMS>
(1r,2c,3t,4c,5c,6t)-1,2,3,4,5,6-hexachlorocyclohexane; (1α,2α,3β,4α,5α,6β)-1,2,3,4,5,6-hexachlorocyclohexane; 1,2,3,4,5,6-hexachlorocyclohexane; Benzene hexachloride; gamma-1,2,3,4,5,6-hexachlorocyclohexane; gamma-benzene hexachloride; gamma-BHC; gamma-HCH; gamma-Hexachlorocyclohexane; gamma-Lindane; Gammallin; Gammaxene; Lindan; Lindane; Lindano; Lindanum; γ-hexachlorocyclohexane; γ-Hexachlorzyklohexan; γ-lindane

> <PRODUCTS>
Dom-lindane Lotion - 1%; Hexit Lotion; Hexit Shampoo 1.0%; Kwellada Lotion 1%; Kwellada Shampoo 1%; Lindane; Lindane Lotion USP 1%; Lindane Shampoo USP 1%; PMS-lindane Lot 1%; PMS-lindane Shp 1%

> <INTERNATIONAL_BRANDS>
Gamene; Kwell; Scabene

$$$$