Mrv1909 05262019192D          

 22 25  0  0  0  0            999 V2000
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    2.2679    0.8348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2680    2.2638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1206    0.7614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2055    1.5493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 11  1  0  0  0  0
  1  7  1  0  0  0  0
 11  2  1  0  0  0  0
  3  4  2  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
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  6 15  1  0  0  0  0
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  9 13  2  0  0  0  0
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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>
ASUTZQLVASHGKV-JDFRZJQESA-N

> <FORMULA>
C17H21NO3

> <MOLECULAR_WEIGHT>
287.3535

> <EXACT_MASS>
287.152143543

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
42

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
1.001319156772398

> <JCHEM_AVERAGE_POLARIZABILITY>
31.4971628606105

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <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(17),7,9,15-tetraen-14-ol

> <JCHEM_LOGP>
1.163042803666667

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.810376387658271

> <JCHEM_PKA_STRONGEST_BASIC>
8.57875742826793

> <JCHEM_POLAR_SURFACE_AREA>
41.93000000000001

> <JCHEM_REFRACTIVITY>
82.3049

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.0^{1,12}.0^{6,17}]heptadeca-6(17),7,9,15-tetraen-14-ol

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB00674

> <SECONDARY_ACCESSION_NUMBERS>
APRD00206; EXPT01628

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Galantamine

> <SYNONYMS>
(-)-Galanthamine; Galantamina; Galantamine; Galanthamine

> <PRODUCTS>
Apo-galantamine; Auro-galantamine ER; Galantamine; Galantamine ER; Galantamine Hydrobromide; Galantamine hydrobromide; Ipg-galantamine ER; Mar-galantamine ER; Mylan-galantamine ER; PMS-galantamine; PMS-galantamine ER; Pat-galantamine ER; Pendo-galantamine ER; Ratio-galantamine; Razadyne; Reminyl -(12mg); Reminyl -(4mg); Reminyl -(8mg); Reminyl ER; Sandoz Galantamine ER; Teva-galantamine ER

> <INTERNATIONAL_BRANDS>
Lycoremine; Nivalin; Reminyl

> <SALTS>
Galantamine hydrobromide

$$$$