Hydrocortisone Valerate

Synopsis, 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

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 Formula	C₂₆H₃₈O₆
Molecular Weight	446.6 g/mol
XLogP3	3.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	446.26683893 g/mol
Monoisotopic Mass	446.26683893 g/mol
Topological Polar Surface Area	101 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	832
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	6
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Drug and Medication Information

4.1 Drug Information

1 of 2
Drug Name	Hydrocortisone valerate
PubMed Health	Hydrocortisone Valerate (Topical application route)
Drug Classes	Corticosteroid, Intermediate, Hydrocortisone
Active Ingredient	Hydrocortisone valerate
Dosage Form	Ointment; Cream
Route	Topical
Strength	0.2%
Market Status	Prescription
Company	Taro; Perrigo New York

2 of 2
Drug Name	Hydrocortisone valerate
PubMed Health	Hydrocortisone Valerate (Topical application route)
Drug Classes	Corticosteroid, Intermediate, Hydrocortisone
Active Ingredient	Hydrocortisone valerate
Dosage Form	Ointment; Cream
Route	Topical
Strength	0.2%
Market Status	Prescription
Company	Taro; Perrigo New York