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Cloprednol

CAT: 0013-GTR19199351-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19199351-03Size:100 mg
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Description
Cloprednol is a synthetic glucocorticoid with anti-inflammatory potency approximately double that of prednisone. It is used in research to study glucocorticoid receptor-mediated pathways and inflammatory responses in both in vitro cellular assays and in vivo experimental models.
CAS Number
5251-34-3
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Smiles
C[C@@]12[C@] ([C@]3 ([C@@] ([C@]4 (C) C (C (Cl) =C3) =CC (=O) C=C4) ([C@@H] (O) C1) [H]) [H]) (CC[C@@]2 (C (CO) =O) O) [H]
Molecular Formula
C21H25ClO5
Molecular Weight
392.87
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cloprednol

Cloprednol is a 21-hydroxy steroid.

CAS Number5251-34-3
PubChem CID5284535
IUPAC Name(8S,9S,10R,11S,13S,14S,17R)-6-chloro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-3-one
Molecular FormulaC21H25ClO5
Molecular Weight392.9
XLogP1.9
Topological Polar Surface Area94.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count27
Formal Charge0
Complexity813
SMILES
C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)C=C(C4=CC(=O)C=C[C@]34C)Cl)O
InChI
InChI=1S/C21H25ClO5/c1-19-5-3-11(24)7-14(19)15(22)8-12-13-4-6-21(27,17(26)10-23)20(13,2)9-16(25)18(12)19/h3,5,7-8,12-13,16,18,23,25,27H,4,6,9-10H2,1-2H3/t12-,13-,16-,18+,19-,20-,21-/m0/s1
InChIKey
YTJIBEDMAQUYSZ-FDNPDPBUSA-N
Chemical Structure
2D Structure
2D structure of Cloprednol
CAS: 5251-34-3
CID: 5284535
Formula: C21H25ClO5
MW: 392.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight392.9
XLogP31.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass392.1390516
Monoisotopic Mass392.1390516
Topological Polar Surface Area94.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity813
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

Alternative Products

CatalogName
HY-119296-01Cloprednol
HY-119296RCloprednol (Standard)
TRC-D229175-25MG21-Dehydro Cloprednol

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