915
  Mrv0541 02231215062D          

 11 13  0  0  0  0            999 V2000
    3.1364    1.3022    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1364    0.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8503   -0.7882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5461   -1.1598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4222   -0.7882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8503    0.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5461   -0.2672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4222    0.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3196   -1.5668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1364   -1.0469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7077   -1.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
M  END
> <DRUGBANK_ID>
DB00915

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Amantadine

> <SYNONYMS>
1-aminoadamantane; Adamantamine; Adamantanamine; Adamantylamine; Amantadine Base; Amantadine HCL; Amantadine Hydrochloride; Amantidine; Aminoadamantane

> <BRANDS>
Endantadine; Gen-Amantadine; Mantadine; Pk-Merz; Symadine; Symmetrel

> <CHEMICAL_FORMULA>
C10H17N

> <MOLECULAR_WEIGHT>
151.2487

> <EXACT_MASS>
151.136099549

> <IUPAC_NAME>
adamantan-1-amine

> <INCHI_IDENTIFIER>
InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2

> <INCHI_KEY>
InChIKey=DKNWSYNQZKUICI-UHFFFAOYSA-N

> <SMILES>
NC12CC3CC(CC(C3)C1)C2

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_DONOR_COUNT>
1

> <ALOGPS_LOGP>
2.53

> <JCHEM_LOGP>
1.47

> <ALOGPS_LOGS>
-3.2

> <JCHEM_POLARIZABILITY>
17.92

> <JCHEM_POLAR_SURFACE_AREA>
26.02

> <JCHEM_REFRACTIVITY>
45.54

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <ALOGPS_SOLUBILITY>
8.46e-02 g/l

$$$$