Mrv1909 02212020012D          

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M  END
> <DATABASE_ID>
DB01047

> <DATABASE_NAME>
drugbank

> <SMILES>
[H][C@@]12C[C@@]3([H])[C@]4([H])C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)COC(C)=O

> <INCHI_IDENTIFIER>
InChI=1S/C26H32F2O7/c1-13(29)33-12-20(32)26-21(34-22(2,3)35-26)10-15-16-9-18(27)17-8-14(30)6-7-23(17,4)25(16,28)19(31)11-24(15,26)5/h6-8,15-16,18-19,21,31H,9-12H2,1-5H3/t15-,16-,18-,19-,21+,23-,24-,25-,26+/m0/s1

> <INCHI_KEY>
WJOHZNCJWYWUJD-IUGZLZTKSA-N

> <FORMULA>
C26H32F2O7

> <MOLECULAR_WEIGHT>
494.5249

> <EXACT_MASS>
494.211609788

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
67

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-2.729008878908873e-07

> <JCHEM_AVERAGE_POLARIZABILITY>
48.972019521752635

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-[(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-14,17-dien-8-yl]-2-oxoethyl acetate

> <ALOGPS_LOGP>
2.93

> <JCHEM_LOGP>
2.0455239793333324

> <ALOGPS_LOGS>
-4.47

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.72324523726617

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.600004673824001

> <JCHEM_PKA_STRONGEST_BASIC>
-3.393571821166639

> <JCHEM_POLAR_SURFACE_AREA>
99.13

> <JCHEM_REFRACTIVITY>
120.5647

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.68e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
nasonex

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB01047

> <SECONDARY_ACCESSION_NUMBERS>
APRD00978

> <DRUG_GROUPS>
approved; investigational

> <GENERIC_NAME>
Fluocinonide

> <SYNONYMS>
Fluocinonida; Fluocinonide; Fluocinonido; Fluocinonidum

> <PRODUCTS>
Flumethovix; Fluocinol Pak; Fluocinonide; Fluocinonide 0.05% / Hyaluronic Acid Sodium Salt 0.5% / Niacinamide 4%; Fluocinonide Cream; Fluocinonide Cream (Emulsified Base); Fluocinonide Gel; Fluocinonide Micro; Fluopar; Fluovix Plus; Fluoxiv; Hexicinide; Lidecomb Cream; Lidemol; Lidemol 0.05%; Lidex; Lidex Cream Mild 0.01%; Lidex Ointment Mild 0.01%; Lidex Ont 0.05%; Lidex-E; Lyderm; Lydonide Cream 0.05%; Lydonide Emollient Cream 0.05%; Lydonide Ointment 0.05%; Tiamol Cream 0.05%; Topactin Cream 0.05% U.S.P.; Topactin Emollient Cream 0.05%; Topsyn 0.05%; Vanos

> <INTERNATIONAL_BRANDS>
Fluonex; Lonide; Lyderm; Metosyn; Topsymin; Topsyn

$$$$