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Hydrocortisone Butyrate

CAT: 1299-RM-H040330-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-H040330-01Size:10 mg
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CAS Number
13609-67-1
Synonyms
(8S,9S,10R,11S,13S,14S,17R) -11-hydroxy-17- (2-hydroxyacetyl) -10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl butyrate
Molecular Formula
C25H36O6
Molecular Weight
432.56
Target Alternative Name
Hydrocortisone
Product Name Synonym
(8S,9S,10R,11S,13S,14S,17R) -11-hydroxy-17- (2-hydroxyacetyl) -10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl butyrate

Chemical Information

Hydrocortisone Butyrate

Cortisol 17-butyrate is cortisol esterified with butyric acid at the 17-hydroxy group. It has a role as a dermatologic drug and a drug allergen. It is a primary alpha-hydroxy ketone, a cortisol ester and a butyrate ester.

CAS Number13609-67-1
PubChem CID26133
IUPAC Name[(8S,9S,10R,11S,13S,14S,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] butanoate
Molecular FormulaC25H36O6
Molecular Weight432.5
XLogP3.2
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity817
SMILES
CCCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)C(=O)CO
InChI
InChI=1S/C25H36O6/c1-4-5-21(30)31-25(20(29)14-26)11-9-18-17-7-6-15-12-16(27)8-10-23(15,2)22(17)19(28)13-24(18,25)3/h12,17-19,22,26,28H,4-11,13-14H2,1-3H3/t17-,18-,19-,22+,23-,24-,25-/m0/s1
InChIKey
BMCQMVFGOVHVNG-TUFAYURCSA-N
Chemical Structure
2D Structure
2D structure of Hydrocortisone Butyrate
CAS: 13609-67-1
CID: 26133
Formula: C25H36O6
MW: 432.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight432.5
XLogP33.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass432.25118886
Monoisotopic Mass432.25118886
Topological Polar Surface Area101 Ų
Heavy Atom Count31
Formal Charge0
Complexity817
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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