Mrv1909 10012015422D          

 24 19  0  0  0  0            999 V2000
   -1.0767    0.1700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0666    0.5588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9081    0.1700    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.8903    0.5588    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.0767   -0.6534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0666    1.3901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3427    0.1598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3529    0.5691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7648    0.1598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7724    0.5691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4605    0.5691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4783    0.1598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1844    0.1700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2022    0.5691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5221    1.0831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4299    1.2289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5221   -0.3644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4375   -0.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4862    0.7404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4786   -0.0114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3964    2.4116    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
   -0.1779   -2.2571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7603   -2.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8017    2.0462    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  8  1  1  0  0  0  0
  9  2  1  0  0  0  0
 10  1  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
 15  4  1  0  0  0  0
 16  4  1  0  0  0  0
 17  3  1  0  0  0  0
 18  3  1  0  0  0  0
 19  3  1  0  0  0  0
 20  4  1  0  0  0  0
  2  7  1  0  0  0  0
  3 14  1  0  0  0  0
  4 13  1  0  0  0  0
  5  1  2  0  0  0  0
  6  2  2  0  0  0  0
  7  8  1  0  0  0  0
M  CHG  4   3   1   4   1  21  -1  24  -1
M  END
> <DATABASE_ID>
DBSALT003046

> <DATABASE_NAME>
drugbank

> <SMILES>
O.O.[Cl-].[Cl-].C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C14H30N2O4.2ClH.2H2O/c1-15(2,3)9-11-19-13(17)7-8-14(18)20-12-10-16(4,5)6;;;;/h7-12H2,1-6H3;2*1H;2*1H2/q+2;;;;/p-2

> <INCHI_KEY>
FFSBEIRFVXGRPR-UHFFFAOYSA-L

> <FORMULA>
C14H34Cl2N2O6

> <MOLECULAR_WEIGHT>
397.33

> <EXACT_MASS>
396.1793922

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
58

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
2.0

> <JCHEM_AVERAGE_POLARIZABILITY>
33.730894978883754

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
trimethyl[2-({4-oxo-4-[2-(trimethylazaniumyl)ethoxy]butanoyl}oxy)ethyl]azanium dihydrate dichloride

> <ALOGPS_LOGP>
-2.49

> <JCHEM_LOGP>
-8.394079043610159

> <ALOGPS_LOGS>
-5.68

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
2

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
2

> <JCHEM_PKA_STRONGEST_BASIC>
-6.751914352242649

> <JCHEM_POLAR_SURFACE_AREA>
52.60000000000001

> <JCHEM_REFRACTIVITY>
100.94059999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.57e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
suxamethonium chloride 2H2O

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT003046

> <NAME>
Succinylcholine chloride dihydrate

> <DRUG_DRUGBANK_ID>
DB00202

> <DRUG_NAME>
Succinylcholine

> <CAS_NUMBER>
6101-15-1

> <UNII>
8L0S1G435E

$$$$