674
  Mrv0541 02231214552D          

 22 25  0  0  1  0            999 V2000
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    7.3588   -1.5573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4433   -1.0636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5414    1.3240    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1288   -0.4833    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.8105   -0.0186    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3855   -0.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8722   -0.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5538   -0.3765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1905   -1.3061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8202   -0.7197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7163    1.3240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6501   -0.8367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7612    0.6396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 11  1  0  0  0  0
 14  2  1  1  0  0  0
  3 17  1  0  0  0  0
  3 21  1  0  0  0  0
  4 12  1  0  0  0  0
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  5  7  1  0  0  0  0
  5  8  1  6  0  0  0
  5 10  1  0  0  0  0
  6  9  1  0  0  0  0
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  9 14  1  0  0  0  0
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 17 19  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
> <DATABASE_ID>
DB00674

> <DATABASE_NAME>
drugbank

> <SMILES>
[H][C@]12C[C@@H](O)C=C[C@]11CCN(C)CC3=C1C(O2)=C(OC)C=C3

> <INCHI_IDENTIFIER>
InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1

> <INCHI_KEY>
InChIKey=ASUTZQLVASHGKV-JDFRZJQESA-N

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
31.402295977028217

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_EXACT_MASS>
287.152143543

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_FORMULA>
C17H21NO3

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.0^{1,12}.0^{6,17}]heptadeca-6,8,10(17),15-tetraen-14-ol

> <ALOGPS_LOGP>
1.39

> <JCHEM_LOGP>
1.163042803666667

> <ALOGPS_LOGS>
-2.23

> <JCHEM_MASS>
287.3535

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.810376678600381

> <JCHEM_PKA_STRONGEST_BASIC>
8.90951741506554

> <JCHEM_POLAR_SURFACE_AREA>
41.93

> <JCHEM_REFRACTIVITY>
82.3049

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.70e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
galantamine

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB00674

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Galantamine

> <SYNONYMS>
(-)-Galanthamine; Galanthamine

> <BRANDS>
Lycoremine; Nivalin; Razadyne; Reminyl

> <SALTS>
Galantamine hydrobromide

$$$$