Mrv0541 01241411192D          

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M  END
> <DATABASE_ID>
DB01013

> <DATABASE_NAME>
drugbank

> <SMILES>
[H][C@@]12C[C@H](C)[C@](OC(=O)CC)(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C

> <INCHI_IDENTIFIER>
InChI=1S/C25H32ClFO5/c1-5-21(31)32-25(20(30)13-26)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,27)19(29)12-23(18,25)4/h8-9,11,14,17-19,29H,5-7,10,12-13H2,1-4H3/t14-,17-,18-,19-,22-,23-,24-,25-/m0/s1

> <INCHI_KEY>
CBGUOGMQLZIXBE-XGQKBEPLSA-N

> <FORMULA>
C25H32ClFO5

> <MOLECULAR_WEIGHT>
466.97

> <EXACT_MASS>
466.192230046

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
64

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-2.433978094021202e-07

> <JCHEM_AVERAGE_POLARIZABILITY>
48.26993293095302

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1R,2S,3aS,3bS,9aS,9bR,10S,11aS)-1-(2-chloroacetyl)-9b-fluoro-10-hydroxy-2,9a,11a-trimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl propanoate

> <ALOGPS_LOGP>
3.49

> <JCHEM_LOGP>
4.177822793000001

> <ALOGPS_LOGS>
-5.05

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
15.142637556642445

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.62667006225186

> <JCHEM_PKA_STRONGEST_BASIC>
-3.393395558776773

> <JCHEM_POLAR_SURFACE_AREA>
80.66999999999999

> <JCHEM_REFRACTIVITY>
119.32229999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.13e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
biotin

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB01013

> <SECONDARY_ACCESSION_NUMBERS>
APRD00876

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Clobetasol propionate

> <SYNONYMS>
21-chloro-9-fluoro-11β,17-dihydroxy-16β-methylpregna-1,4-diene-3,20-dione 17-propionate; clobetasol 17-propanoate; clobetasol 17-propionate; Clobetasol propionate; Clobetasol propionate E

> <PRODUCTS>
Alti-clobetasol Propionate Cream 0.05%; Alti-clobetasol Propionate Ont 0.05%; Alti-clobetasol Propionate Scalp Application 0.05%; Apo-clobetasol Spray; Calcipotriene 0.005% / Clobetasol Propionate 0.05%; Ciclopirox 1% / Clobetasol Propionate 0.05%; Ciclopirox Olamine 0.77% / Clobetasol Propionate 0.05% / Salicylic Acid 3%.; Clobeta; Clobetair; Clobetasol Cream 0.05%; Clobetasol Ointment 0.05%; Clobetasol Propionate; Clobetasol Propionate (Emmolient); Clobetasol Propionate (Emollient); Clobetasol Propionate (emollient); Clobetasol Propionate 0.05% / Coal Tar 8% / Salicylic Acid 6%; Clobetasol Propionate 0.05% / Levocetirizine Dihydrochloride 2%; Clobetasol Propionate 0.05% / Niacinamide 4%; Clobetasol Propionate ANDA; Clobetasol Propionate Cream; Clobetasol Propionate Cream USP, 0.05% Clobetasol Propionate Cream USP, 0.05%; Clobetasol Propionate Emollient Formulation; Clobetasol Propionate Emulsion; Clobetasol Propionate Oint 0.05%; Clobetasol Scalp Application 0.05%; Clobetavix; Clobetex; Clobex; Clobex Lotion; Clobex Shampoo; Clobex Shampoo 0.05%; Clobex Spray; Clodan; Clodan Kit; Cormax; Cormax Scalp Application; Dermovate Cream; Dermovate Crm 0.05%; Dermovate Ointment; Dermovate Ont 0.05%; Dermovate Scalp Application; Dermovate Scalp Application .05%; Impeklo; Impoyz; Jamp Clobetasol Spray; Mylan-clobetasol Cream; Mylan-clobetasol Ointment; Mylan-clobetasol Scalp Application; Niacinamide 4% / Clobetasol Propionate 0.05%; Novo-clobetasol Crm 0.05%; Novo-clobetasol Ointment - 0.05%; Odan Clobetasol Spray; Olux; Olux-E; PMS-clobetasol; PMS-clobetasol Cream; PMS-clobetasol Ointment; PMS-clobetasol Scalp Application; Penta-clobetasol Cream; Reddy-clobetasol Shampoo; Sandoz Clobetasol; Taro-clobetasol Cream USP, 0.05%; Taro-clobetasol Ointment USP, 0.05%; Taro-clobetasol Shampoo; Taro-clobetasol Spray; Taro-clobetasol Topical Solution USP, 0.05%; Tasoprol; Temovate; Temovate E; Temovate Scalp Application; Teva-clobetasol; Tovet (emollient formulation); Tovet Foam (Emollient Formulation)

> <INTERNATIONAL_BRANDS>
Clobesol; Dermovate; Embeline; Embeline E

$$$$