-OEChem-01131113502D

 16 16  0     0  0  0  0  0  0999 V2000
    3.4537   -2.6617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3025   -0.6631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0587   -2.6617    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.1512   -2.6617    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9074   -1.9893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6050   -1.9893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7562   -2.6617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9074   -0.6631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6050   -0.6631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3025   -1.9893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7562    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3956   -3.8129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7218   -1.5104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2099   -3.3248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.9893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1512   -3.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 10  1  0  0  0  0
  2 10  2  0  0  0  0
  3  5  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4 10  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  8 11  2  0  0  0  0
  9 11  1  0  0  0  0
M  CHG  1   3   1
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
1

> <PUBCHEM_SUBSTANCE_ID>
48416319

> <PUBCHEM_SUBSTANCE_VERSION>
3

> <PUBCHEM_EXT_DATASOURCE_NAME>
EPA DSSTox

> <PUBCHEM_EXT_DATASOURCE_REGID>
23360

> <PUBCHEM_SUBSTANCE_COMMENT>
Substance included in EPA DSSTox FDAMDD: FDA Maximum (Recommended) Daily Dose Database File <a href="http://www.epa.gov/ncct/dsstox/sdf_fdamdd.html"target="_blank">[link to DSSTox SDF Download Page]</a>
Structure Shown: tested chemical
For further information visit the FDA Maximum Recommended Therapeutic Dose Database <a href="http://www.fda.gov/AboutFDA/CentersOffices/CDER/ucm092199.htm"target="_blank">Website</a>

> <PUBCHEM_SUBSTANCE_SYNONYM>
3-{[(dimethylamino)carbonyl]oxy}-N,N,N-trimethylanilinium
59-99-4
Neostigmine

> <PUBCHEM_GENERIC_REGISTRY_NAME>
59-99-4

> <PUBCHEM_XREF_EXT_ID>
23360

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.epa.gov/ncct/dsstox/sdf_fdamdd.html

> <PUBCHEM_CID_ASSOCIATIONS>
4456  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$