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Chemistry

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Also known as: Ncgc00018263-02, Chembl67128, Chebi:181452, Akos015917554
Molecular Formula
C26H38O6
Molecular Weight
446.6  g/mol
InChI Key
FZCHYNWYXKICIO-MDDFJDPJSA-N

Hydrocortisone Valerate
1 2D Structure

Hydrocortisone Valerate

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
[(17R)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] pentanoate
2.1.2 InChI
InChI=1S/C26H38O6/c1-4-5-6-22(31)32-26(21(30)15-27)12-10-19-18-8-7-16-13-17(28)9-11-24(16,2)23(18)20(29)14-25(19,26)3/h13,18-20,23,27,29H,4-12,14-15H2,1-3H3/t18?,19?,20?,23?,24?,25?,26-/m0/s1
2.1.3 InChI Key
FZCHYNWYXKICIO-MDDFJDPJSA-N
2.1.4 Canonical SMILES
CCCCC(=O)OC1(CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C)C(=O)CO
2.1.5 Isomeric SMILES
CCCCC(=O)O[C@@]1(CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C)C(=O)CO
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Ncgc00018263-02

2. Chembl67128

3. Chebi:181452

4. Akos015917554

2.3 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 446.6 g/mol
Molecular Formula C26H38O6
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass446.26683893 g/mol
Monoisotopic Mass446.26683893 g/mol
Topological Polar Surface Area101 Ų
Heavy Atom Count32
Formal Charge0
Complexity832
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count6
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Drug and Medication Information
4.1 Drug Information
1 of 2  
Drug NameHydrocortisone valerate
PubMed HealthHydrocortisone Valerate (Topical application route)
Drug ClassesCorticosteroid, Intermediate, Hydrocortisone
Active IngredientHydrocortisone valerate
Dosage FormOintment; Cream
RouteTopical
Strength0.2%
Market StatusPrescription
CompanyTaro; Perrigo New York

2 of 2  
Drug NameHydrocortisone valerate
PubMed HealthHydrocortisone Valerate (Topical application route)
Drug ClassesCorticosteroid, Intermediate, Hydrocortisone
Active IngredientHydrocortisone valerate
Dosage FormOintment; Cream
RouteTopical
Strength0.2%
Market StatusPrescription
CompanyTaro; Perrigo New York

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