Marvin  03060611312D          
 
 11 11  0  0  0  0            999 V2000
   -0.3852    0.2341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3293    0.6466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3852   -0.5909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0997    0.6466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0437    0.2341    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0997   -1.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8142    0.2341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7582    0.6466    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0437   -0.5909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8142   -0.5909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4727    0.2341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  1  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
  7 10  2  0  0  0  0
M  END
> <ID>
CHEBI:6809

> <NAME>
methamphetamine

> <DEFINITION>
A member of the class of amphetamines in which the amino group of (S)-amphetamine carries a methyl substituent.

> <STAR>
3

> <SYNONYM>
methyl-beta-phenylisopropylamine; Methamphetamine; dextromethamphetamine; d-phenylisopropylmethylamine; d-N-methylamphetamine; d-desoxyephedrine; d-deoxyephedrine; d-1-phenyl-2-methylaminopropane; (S)-N,alpha-dimethylbenzeneethanamine; (alphaS)-N,alpha-dimethylbenzeneethanamine; (+)-(S)-N-alpha-dimethylphenethylamine

> <IUPAC_NAME>
(2S)-N-methyl-1-phenylpropan-2-amine

> <INN>
metanfetamina; metamfetaminum; metamfetamine; metamfetamine

> <FORMULA>
C10H15N

> <MASS>
149.23284

> <MONOISOTOPIC_MASS>
149.12045

> <CHARGE>
0

> <SMILES>
CN[C@@H](C)Cc1ccccc1

> <INCHI>
InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m0/s1

> <INCHIKEY>
MYWUZJCMWCOHBA-VIFPVBQESA-N

> <CAS_REGISTRY_NUMBER>
537-46-2

> <REAXYS_REGISTRY_NUMBER>
2207147

> <CHEMIDPLUS>
537-46-2

> <DRUGBANK_ACCESSION>
DB01577

> <KEGG_COMPOUND_ACCESSION>
C07164

> <KEGG_DRUG_ACCESSION>
D08187

> <NIST_CHEMISTRY_WEBBOOK>
537-46-2

> <PDBECHEM_ACCESSION>
B40

> <WIKIPEDIA_ACCESSION>
Methamphetamine

> <PUBMED_CITATION>
11221576; 11406298; 11711870; 11717374; 11829406; 11831503; 11847428; 11896153; 11984857; 14645148; 14769818; 15380623; 15542724; 15542728; 15808793; 18279499; 18509037; 18521756; 18991860; 18991862; 19269222; 19384581; 19576287; 19732271; 24349338; 25724762; 26302754; 26541330; 26568405; 26683901; 26775284; 26992824; 27232669

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