211
  Mrv0541 02231214312D          

 18 18  0  0  1  0            999 V2000
    3.0791    0.3630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.8745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -2.5246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370    1.1880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    1.1880    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370    2.8381    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.8745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    0.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0791   -1.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080   -1.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080   -2.1120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0791   -2.1120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -2.5246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    1.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    2.4256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -3.3496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2 10  1  0  0  0  0
  2 17  1  0  0  0  0
  3 12  1  0  0  0  0
  3 18  1  0  0  0  0
  4 15  2  0  0  0  0
  5  9  1  0  0  0  0
  5 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 12 14  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <DRUGBANK_ID>
DB00211

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Midodrine

> <SYNONYMS>
Midodrin; Midodrina [INN-Spanish]; Midodrine HCL; midodrine hydrochloride; Midodrinum [INN-Latin]

> <BRANDS>
ProAmatine

> <CHEMICAL_FORMULA>
C12H18N2O4

> <MOLECULAR_WEIGHT>
254.2823

> <EXACT_MASS>
254.126657074

> <IUPAC_NAME>
2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide

> <INCHI_IDENTIFIER>
InChI=1S/C12H18N2O4/c1-17-8-3-4-11(18-2)9(5-8)10(15)7-14-12(16)6-13/h3-5,10,15H,6-7,13H2,1-2H3,(H,14,16)

> <INCHI_KEY>
InChIKey=PTKSEFOSCHHMPD-UHFFFAOYSA-N

> <SMILES>
COC1=CC(C(O)CNC(=O)CN)=C(OC)C=C1

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_ACIDIC_PKA>
15.26

> <ALOGPS_LOGP>
-0.49

> <JCHEM_LOGP>
-0.95

> <ALOGPS_LOGS>
-1.8

> <JCHEM_POLARIZABILITY>
26.65

> <JCHEM_POLAR_SURFACE_AREA>
93.81

> <JCHEM_REFRACTIVITY>
66.22

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <ALOGPS_SOLUBILITY>
4.45e+00 g/l

$$$$