Mrv0541 04191212172D          

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   14.7923   -5.6049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <DATABASE_ID>
DB01222

> <DATABASE_NAME>
drugbank

> <SMILES>
[H][C@@]12C[C@H]3OC(CCC)O[C@@]3(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C

> <INCHI_IDENTIFIER>
InChI=1S/C25H34O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-10,16-18,20-22,26,28H,4-7,11-13H2,1-3H3/t16-,17-,18-,20+,21?,22+,23-,24-,25+/m0/s1

> <INCHI_KEY>
VOVIALXJUBGFJZ-KWVAZRHASA-N

> <FORMULA>
C25H34O6

> <MOLECULAR_WEIGHT>
430.5339

> <EXACT_MASS>
430.23553882

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
65

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-1.9089825748524095e-07

> <JCHEM_AVERAGE_POLARIZABILITY>
46.878643346335664

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1S,2S,4R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-14,17-dien-16-one

> <ALOGPS_LOGP>
2.42

> <JCHEM_LOGP>
2.733890000333333

> <ALOGPS_LOGS>
-3.97

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.912842232492377

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.747499803717407

> <JCHEM_PKA_STRONGEST_BASIC>
-2.851415360050529

> <JCHEM_POLAR_SURFACE_AREA>
93.06

> <JCHEM_REFRACTIVITY>
116.10979999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.57e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
biotin

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB01222

> <SECONDARY_ACCESSION_NUMBERS>
APRD00442

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Budesonide

> <SYNONYMS>
(11β,16α)-16,17-(Butylidenebis(oxy))-11,21-dihydroxypregna-1,4-diene-3,20-dione; Budesónida; Budesonide

> <PRODUCTS>
Airsupra; Biresp Spiromax; Breyna; Breztri; Breztri Aerosphere; Budesonide; Budesonide (Enteric Coated); Budesonide (enteric Coated); Budesonide (enteric coated); Budesonide Inhalation; Budesonide Inhalation Suspension; Budesonide Nasal; Budesonide and Formoterol Fumarate Dihydrate; Budesonide/formot Erol Teva Pharma B.V.; Budesonide/formoterol Teva; Childrens RHINOCORT Allergy; Cortiment; Duoresp Spiromax; Entocort; Entocort EC; Entocort Enema; Eohilia; Jorveza; Kinpeygo; Mylan-budesonide AQ; Ortikos; Pulmicort Flexhaler; Pulmicort Nebuamp 0.125 mg/ml; Pulmicort Nebuamp 0.25 mg/ml; Pulmicort Nebuamp 0.5 mg/ml; Pulmicort Respules; Pulmicort Turbuhaler; RHINOCORT Allergy; Rhinocort; Rhinocort Aqua; Rhinocort Aqua 100mcg; Rhinocort Turbuhaler 100 Mcg/dose; Riltrava Aerosphere; Symbicort; Symbicort 100 Turbuhaler; Symbicort 200 Turbuhaler; Symbicort Forte Turbuhaler; T.R.U.E. Test Thin-Layer Rapid Use Patch Test; Taro-budesonide; Tarpeyo; Teva-budesonide; Trixeo Aerosphere; Uceris

> <INTERNATIONAL_BRANDS>
Bidien; Budeson; Budicort; Noex; Pulmicort; Rhinosol; Spirocort

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