Mrv1718001081909102D          

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M  END
> <DATABASE_ID>
DB00810

> <DATABASE_NAME>
drugbank

> <SMILES>
OC(CCN1CCCCC1)(C1CC2CC1C=C2)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C21H29NO/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2

> <INCHI_KEY>
YSXKPIUOCJLQIE-UHFFFAOYSA-N

> <FORMULA>
C21H29NO

> <MOLECULAR_WEIGHT>
311.4611

> <EXACT_MASS>
311.224914555

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
52

> <JCHEM_AVERAGE_POLARIZABILITY>
36.87896131605011

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1-{bicyclo[2.2.1]hept-5-en-2-yl}-1-phenyl-3-(piperidin-1-yl)propan-1-ol

> <ALOGPS_LOGP>
4.28

> <JCHEM_LOGP>
3.5365074619999994

> <ALOGPS_LOGS>
-4.86

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.820096784776485

> <JCHEM_PKA_STRONGEST_BASIC>
9.297995719799305

> <JCHEM_POLAR_SURFACE_AREA>
23.47

> <JCHEM_REFRACTIVITY>
97.0158

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.26e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
biperiden

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB00810

> <SECONDARY_ACCESSION_NUMBERS>
APRD00725

> <DRUG_GROUPS>
approved; investigational

> <GENERIC_NAME>
Biperiden

> <SYNONYMS>
1-Bicyclo[2.2.1]hept-5-en-2-yl-1-phenyl-3-piperidin-1-yl-propan-1-ol; alpha-5-norbornen-2-yl-alpha-phenyl-1-piperidinepropanol; alpha-bicyclo[2.2.1]hept-5-en-2-yl-alpha-phenyl-1-piperidinepropanol; Biperiden; Biperidene; Biperideno; Biperidenum

> <PRODUCTS>
Akineton; Akineton Tab 2mg

> <INTERNATIONAL_BRANDS>
Bilino; Ipsatol

> <SALTS>
Biperiden hydrochloride; Biperiden lactate

$$$$