387
  Mrv0541 02231214382D          

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    5.2783   -1.3819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0629   -1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <DATABASE_ID>
DB00387

> <DATABASE_NAME>
drugbank

> <SMILES>
OC(CCN1CCCC1)(C1CCCCC1)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C19H29NO/c21-19(17-9-3-1-4-10-17,18-11-5-2-6-12-18)13-16-20-14-7-8-15-20/h1,3-4,9-10,18,21H,2,5-8,11-16H2

> <INCHI_KEY>
WYDUSKDSKCASEF-UHFFFAOYSA-N

> <FORMULA>
C19H29NO

> <MOLECULAR_WEIGHT>
287.4397

> <EXACT_MASS>
287.224914555

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
50

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.9964384567304345

> <JCHEM_AVERAGE_POLARIZABILITY>
34.43468309794552

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1-cyclohexyl-1-phenyl-3-(pyrrolidin-1-yl)propan-1-ol

> <ALOGPS_LOGP>
4.13

> <JCHEM_LOGP>
3.7881168286666655

> <ALOGPS_LOGS>
-4.47

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.84003582995925

> <JCHEM_PKA_STRONGEST_BASIC>
9.44682993882947

> <JCHEM_POLAR_SURFACE_AREA>
23.47

> <JCHEM_REFRACTIVITY>
88.60420000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.84e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tetrahydrofolic acid

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB00387

> <SECONDARY_ACCESSION_NUMBERS>
APRD00383

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Procyclidine

> <SYNONYMS>
1-cyclohexyl-1-phenyl-3-pyrrolidin-1-yl-propan-1-ol hydrochloride; 1-Cyclohexyl-1-phenyl-3-pyrrolidino-1-propanol; Prociclidina; Procyclidin; Procyclidine; Procyclidinum; Tricyclamol

> <PRODUCTS>
Kemadrin; Kemadrin Elx; Kemadrin Tab 5mg; PHL-procyclidine Tablets; Pdp-procyclidine; Pendo-procyclidine; Procyclid Elx; Procyclid Tab 5mg

> <INTERNATIONAL_BRANDS>
Arpicolin; Extranil; Kdrine; Kemadren; Osnervan; Prodine; Proimer

> <SALTS>
Procyclidine hydrochloride

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