72316
  -OEChem-03010813432D

 13 13  0     0  0  0  0  0  0999 V2000
   -1.6333    0.7085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6913   -0.7305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1363    0.7385    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0523    0.3735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0523   -0.3615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2196    0.3735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4163    0.7405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4163   -0.7284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2196   -0.3615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8546    0.7394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4952    0.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2740    0.3381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3322   -0.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 12  1  0  0  0  0
  2  5  1  0  0  0  0
  2 13  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
72316

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
DTP/NCI

> <PUBCHEM_EXT_DATASOURCE_REGID>
6328

> <PUBCHEM_SUBSTANCE_COMMENT>
DTP/NCI from molfile.  Release-June 2007.
Structure Evaluation:Consistent with Molecular Formula.
Deposition record created from database webdb on host dtpiv1.ncifcrf.gov on Feb 22, 2008

> <PUBCHEM_SUBSTANCE_SYNONYM>
.beta.-(3,4-Dimethoxyphenyl)ethylamine
120-20-7
2-(3,4-Dimethoxyphenyl)ethylamine
3,4-Dimethoxy-.beta.-phenethylamine
3,4-Dimethoxy-.beta.-phenylethylamine
3,4-Dimethoxybenzeneethanamine
3,4-Dimethoxydopamine
3,4-Dimethoxyphenethylamine
3,4-Dimethoxyphenylethylamine
3,4-Dimethoxyphenylethylamine(base)
Benzeneethanamine, 3,4-dimethoxy-
DIMPEA
DMPE
DMPEA
Dimethoxydopamine
Dimethoxyphenylethylamine
Dimethylmescaline
Dopamine dimethyl ether
Homoveratrylamine
NSC6328
Phenethylamine, 3,4-dimethoxy-
WLN: Z2R CO1 DO1

> <PUBCHEM_GENERIC_REGISTRY_NAME>
120-20-7

> <PUBCHEM_XREF_EXT_ID>
6328

> <PUBCHEM_EXT_DATASOURCE_URL>
http://dtp.nci.nih.gov/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://dtp.nci.nih.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=6328

> <PUBCHEM_CID_ASSOCIATIONS>
8421  1

$$$$