202
  Mrv0541 02231214312D          

 20 19  0  0  0  0            999 V2000
    4.5077    0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0799   -0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2221   -1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3655    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.2063    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   10.2233    0.2063    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.0789    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5088   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7768   -0.9206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9519    0.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6358   -0.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8108    0.9206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9376    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7944    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9366    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6511   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2221   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3655    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 19  1  0  0  0  0
  2 16  1  0  0  0  0
  2 20  1  0  0  0  0
  3 19  2  0  0  0  0
  4 20  2  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
M  CHG  2   5   1   6   1
M  END
> <DATABASE_ID>
DB00202

> <DATABASE_NAME>
drugbank

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

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

> <INCHI_KEY>
AXOIZCJOOAYSMI-UHFFFAOYSA-N

> <FORMULA>
C14H30N2O4

> <MOLECULAR_WEIGHT>
290.399

> <EXACT_MASS>
290.220557458

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
50

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
2.0

> <JCHEM_AVERAGE_POLARIZABILITY>
33.15477873407393

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
2

> <JCHEM_GHOSE_FILTER>
0

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

> <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>
52.6

> <JCHEM_REFRACTIVITY>
100.94059999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.57e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
biotin

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB00202

> <SECONDARY_ACCESSION_NUMBERS>
APRD00159

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Succinylcholine

> <SYNONYMS>
2,2'-[(1,4-dioxobutane-1,4-diyl)bis(oxy)]bis(N,N,N-trimethylethanaminium); Dicholine succinate; Succinocholine; Succinoylcholine; Succinylbischoline; Succinyldicholine; Suxamethonium

> <PRODUCTS>
Anectine; Anectine Civ; Anectine Flopack 500mg; Anectine Inj 20mg/ml; Anectine Nov; Quelicin; Quelicin Inj 20mg/ml USP; Succinylcholine; Succinylcholine Chloride; Succinylcholine Chloride Injection USP; Succinylcholine Chloride Injection, USP; Succinylcholine Chloride Injection, USP 20mg/ml

> <INTERNATIONAL_BRANDS>
Scoline; Sucostrin

> <SALTS>
Succinylcholine chloride; Succinylcholine chloride dihydrate

$$$$