Mrv1652301121721412D          

 18 19  0  0  0  0            999 V2000
    0.4822   -2.1669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3428   -2.1669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0697   -1.4525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0697   -0.6275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7842   -0.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1967    0.4995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6092   -0.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6448   -0.2150    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6448    0.6100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3122    1.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0573    1.8796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2323    1.8796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0227    1.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3199   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3199    0.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.3199    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1449   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4949    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  5  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  9 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
> <DATABASE_ID>
DBSALT002061

> <DATABASE_NAME>
drugbank

> <SMILES>
OP(O)(O)=O.C1CC1C(NC1=NCCO1)C1CC1

> <INCHI_IDENTIFIER>
InChI=1S/C10H16N2O.H3O4P/c1-2-7(1)9(8-3-4-8)12-10-11-5-6-13-10;1-5(2,3)4/h7-9H,1-6H2,(H,11,12);(H3,1,2,3,4)

> <INCHI_KEY>
ZJCOWRFWZOAVFY-UHFFFAOYSA-N

> <FORMULA>
C10H19N2O5P

> <MOLECULAR_WEIGHT>
278.245

> <EXACT_MASS>
278.103158718

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
37

> <JCHEM_AVERAGE_POLARIZABILITY>
20.379271923301893

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
N-(dicyclopropylmethyl)-4,5-dihydro-1,3-oxazol-2-amine; phosphoric acid

> <ALOGPS_LOGP>
1.43

> <JCHEM_LOGP>
1.5764464593333334

> <ALOGPS_LOGS>
-2.13

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
7.105591203799966

> <JCHEM_POLAR_SURFACE_AREA>
33.620000000000005

> <JCHEM_REFRACTIVITY>
49.79410000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.34e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
hyperium; phosphoric acid

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DBSALT002061

> <NAME>
Rilmenidine Phosphate

> <DRUG_DRUGBANK_ID>
DB11738

> <DRUG_NAME>
Rilmenidine

> <CAS_NUMBER>
85409-38-7

> <UNII>
59QD64Q32M

$$$$