11280714462D 1   1.00000     0.00000     0

 13 13  0     0  0            999 V2000
    5.3042   -6.4667    0.0000 C   0  0  0  0  0  0           0  0  0
    5.8292   -6.1625    0.0000 O   0  0  0  0  0  0           0  0  0
    4.7792   -6.1667    0.0000 C   0  0  0  0  0  0           0  0  0
    5.3042   -7.0667    0.0000 C   0  0  0  0  0  0           0  0  0
    6.3500   -6.4625    0.0000 C   0  0  0  0  0  0           0  0  0
    7.3875   -6.4625    0.0000 N   0  0  0  0  0  0           0  0  0
    6.8667   -6.1625    0.0000 C   0  0  3  0  0  0           0  0  0
    4.2625   -7.0750    0.0000 C   0  0  0  0  0  0           0  0  0
    4.2625   -6.4625    0.0000 C   0  0  0  0  0  0           0  0  0
    4.7792   -7.3667    0.0000 C   0  0  0  0  0  0           0  0  0
    4.7792   -5.5667    0.0000 C   0  0  0  0  0  0           0  0  0
    5.8292   -7.3792    0.0000 C   0  0  0  0  0  0           0  0  0
    6.8667   -5.5625    0.0000 C   0  0  0  0  0  0           0  0  0
  2  1  1  0     0  0
  3  1  1  0     0  0
  4  1  2  0     0  0
  5  2  1  0     0  0
  6  7  1  0     0  0
  7  5  1  0     0  0
  8 10  2  0     0  0
  9  3  2  0     0  0
 10  4  1  0     0  0
 11  3  1  0     0  0
 12  4  1  0     0  0
 13  7  1  0     0  0
  8  9  1  0     0  0
M  END
> <ID>
CHEBI:6916

> <NAME>
mexiletine

> <DEFINITION>
An aromatic ether which is 2,6-dimethylphenyl ether of 2-aminopropan-1-ol.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:115958

> <SYNONYM>
Mexiletine; 1-methyl-2-(2,6-xylyloxy)ethanamine; 1-(2,6-dimethylphenoxy)-2-propanamine; 1-(2',6'-dimethylphenoxy)-2-aminopropane; (2RS)-1-(2,6-dimethylphenoxy)-2-aminopropane; (+-)-1-(2,6-dimethylphenoxy)propan-2-amine

> <IUPAC_NAME>
1-(2,6-dimethylphenoxy)propan-2-amine

> <INN>
mexiletinum; mexiletine; mexiletina

> <FORMULA>
C11H17NO

> <MASS>
179.25880

> <MONOISOTOPIC_MASS>
179.13101

> <CHARGE>
0

> <SMILES>
CC(N)COc1c(C)cccc1C

> <INCHI>
InChI=1S/C11H17NO/c1-8-5-4-6-9(2)11(8)13-7-10(3)12/h4-6,10H,7,12H2,1-3H3

> <INCHIKEY>
VLPIATFUUWWMKC-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
31828-71-4

> <REAXYS_REGISTRY_NUMBER>
2092205

> <CHEMIDPLUS>
31828-71-4

> <DRUGBANK_ACCESSION>
DB00379

> <KEGG_COMPOUND_ACCESSION>
C07220

> <KEGG_DRUG_ACCESSION>
D08215

> <LINCS_ACCESSION>
LSM-1700

> <NIST_CHEMISTRY_WEBBOOK>
31828-71-4

> <WIKIPEDIA_ACCESSION>
Mexiletine

> <PUBMED_CITATION>
10883344; 11009230

$$$$