850
  Mrv0541 02231215032D          

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M  END
> <DATABASE_ID>
DB00850

> <DATABASE_NAME>
drugbank

> <SMILES>
OCCN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(Cl)C=C3)CC1

> <INCHI_IDENTIFIER>
InChI=1S/C21H26ClN3OS/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2

> <INCHI_KEY>
RGCVKNLCSQQDEP-UHFFFAOYSA-N

> <FORMULA>
C21H26ClN3OS

> <MOLECULAR_WEIGHT>
403.969

> <EXACT_MASS>
403.148510866

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
53

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.8661390376183031

> <JCHEM_AVERAGE_POLARIZABILITY>
44.77499971815116

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-{4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]piperazin-1-yl}ethan-1-ol

> <ALOGPS_LOGP>
4.15

> <JCHEM_LOGP>
3.6920178093333327

> <ALOGPS_LOGS>
-4.23

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NEUTRAL_CHARGE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.593097818112456

> <JCHEM_PKA_STRONGEST_BASIC>
7.810901034601559

> <JCHEM_POLAR_SURFACE_AREA>
29.950000000000003

> <JCHEM_REFRACTIVITY>
116.09870000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.37e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tetrahydrofolic acid

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB00850

> <SECONDARY_ACCESSION_NUMBERS>
APRD00429

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Perphenazine

> <SYNONYMS>
2-(4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-1-piperazinyl)ethanol; 2-chloro-10-(3-(4-(2-hydroxyethyl)piperazin-1-yl)propyl)phenothiazine; 4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-1-piperazineethanol; 4-[3-(2-chlorophenothiazin-10-yl)propyl]-1-piperazineethanol; Chlorpiprazine; Etaperazin; Etaperazine; Ethaperazine; Perfenazina; Perfenazine; Perphenazin; Perphénazine; Perphenazine; Perphenazinum; γ-(4-(β-hydroxyethyl)piperazin-1-yl)propyl-2-chlorophenothiazine

> <PRODUCTS>
Apo Peram Tab 2-25; Apo Peram Tab 3-15; Elavil Plus Tab; Etrafon 2 10; Etrafon A Tab; Etrafon D Tab; Etrafon F Tab; PMS Perphenazine Concentrate Liq 3.2mg/ml; PMS Perphenazine Tab 16mg; PMS Perphenazine Tab 2mg; PMS Perphenazine Tab 4mg; PMS Perphenazine Tab 8mg; PMS-levazine 2/25 Tab; PMS-levazine 3/15 Tab; PMS-levazine 4/25 Tab; Perphenazine; Perphenazine 16 Tab; Perphenazine 2 Tab 2mg; Perphenazine 8 Tab 8mg; Perphenazine Tab 2mg; Perphenazine Tab 4mg; Perphenazine and Amitriptyline Hydrochloride; Phenazine 16 Tab; Phenazine 2 Tab; Phenazine 4 Tab; Phenazine 8 Tab; Proavil Tab; Triavil Tab; Trilafon Conc 16mg/5ml; Trilafon Inj 5mg/ml; Trilafon Syr 2mg/5ml; Trilafon Tab 2mg; Trilafon Tab 4mg; Trilafon Tab 8mg

> <INTERNATIONAL_BRANDS>
Decentan; Emesinal; Fentazin; Perphenan; PZC; Trilafon; Trilifan

$$$$