Mrv1652302241718322D          

 21 20  0  0  1  0            999 V2000
   -1.0392    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3248    1.0125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3897    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3897   -0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042   -0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042   -1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3897   -1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3248   -1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3248   -0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3248    1.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0392    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0155    0.2062    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3010   -0.2063    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5865    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8720   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5865    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3010   -1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7299   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4444    0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7299   -1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0155    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  4  9  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 13 17  1  1  0  0  0
 12 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 12 21  1  1  0  0  0
M  END
> <DATABASE_ID>
DBSALT002267

> <DATABASE_NAME>
drugbank

> <SMILES>
O[C@H]([C@@H](O)C(O)=O)C(O)=O.CN[C@@H](C)CC1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C10H15N.C4H6O6/c1-9(11-2)8-10-6-4-3-5-7-10;5-1(3(7)8)2(6)4(9)10/h3-7,9,11H,8H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t9-;1-,2-/m01/s1

> <INCHI_KEY>
SOSGXQJCXKXQCB-NDAAPVSOSA-N

> <FORMULA>
C14H21NO6

> <MOLECULAR_WEIGHT>
299.323

> <EXACT_MASS>
299.1368874

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
42

> <JCHEM_AVERAGE_POLARIZABILITY>
18.138517329530575

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2R,3R)-2,3-dihydroxybutanedioic acid; methyl[(2S)-1-phenylpropan-2-yl]amine

> <ALOGPS_LOGP>
-1.27

> <JCHEM_LOGP>
2.2368308753333324

> <ALOGPS_LOGS>
0.03

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
10.20988414728296

> <JCHEM_POLAR_SURFACE_AREA>
12.03

> <JCHEM_REFRACTIVITY>
48.479800000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.61e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(+)-methamphetamine; L(+)-tartaric acid

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DBSALT002267

> <NAME>
Metamfetamine tartrate

> <DRUG_DRUGBANK_ID>
DB01577

> <DRUG_NAME>
Metamfetamine

> <CAS_NUMBER>
62265-33-2

> <UNII>
7520HJS99O

$$$$