Mrv1718010231709322D          

 13 11  0  0  0  0            999 V2000
   -1.4142    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7162    1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2873    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5892   -0.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5892    0.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0017    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0017   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0017    1.4289    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.8267    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5892   -2.1434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8267   -1.4289    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.8267    0.1190    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1767    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  6  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  1  0  0  0  0
  8  2  1  0  0  0  0
  8  3  1  0  0  0  0
  8  5  1  0  0  0  0
  6  9  1  0  0  0  0
 10  7  2  0  0  0  0
 11  7  1  0  0  0  0
  6 13  1  6  0  0  0
M  CHG  2   8   1  11  -1
M  END
> <DATABASE_ID>
DBSALT001037

> <DATABASE_NAME>
drugbank

> <SMILES>
Cl.[H][C@@](O)(CC([O-])=O)C[N+](C)(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C7H15NO3.ClH/c1-8(2,3)5-6(9)4-7(10)11;/h6,9H,4-5H2,1-3H3;1H/t6-;/m1./s1

> <INCHI_KEY>
JXXCENBLGFBQJM-FYZOBXCZSA-N

> <FORMULA>
C7H16ClNO3

> <MOLECULAR_WEIGHT>
197.66

> <EXACT_MASS>
197.0818711

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
28

> <JCHEM_AVERAGE_POLARIZABILITY>
16.759240784541504

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate hydrochloride

> <ALOGPS_LOGP>
-2.90

> <JCHEM_LOGP>
-4.887506048138412

> <ALOGPS_LOGS>
-1.60

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.524970024955305

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.196175564563187

> <JCHEM_PKA_STRONGEST_BASIC>
-3.5695232571229383

> <JCHEM_POLAR_SURFACE_AREA>
60.36

> <JCHEM_REFRACTIVITY>
63.485299999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.33e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
L-carnitine hydrochloride

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT001037

> <NAME>
Levocarnitine chloride

> <DRUG_DRUGBANK_ID>
DB00583

> <DRUG_NAME>
Levocarnitine

> <CAS_NUMBER>
6645-46-1

> <UNII>
J3Y5E6IKS3

$$$$