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Alclometasone dipropionate

CAT: 0013-GTR19201770Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19201770Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Alclometasone dipropionate is a synthetic glucocorticoid used in research to study skin inflammation. Its anti-inflammatory, antiproliferative, and vasoconstrictive properties make it applicable for in vitro and in vivo models of dermatological conditions like eczema and psoriasis.
CAS Number
66734-13-2
Product Name Alternative
Delonal, Almeta, Alclometasone, Aclovate, Vaderm, Sch 22219
Field of Research
Pharmacology & Drug Discovery
Purity
99.57% (May vary between batches)
Solubility
H2O:Insoluble; DMSO:5.25 mg/mL (10.08 mM)
Smiles
C (COC (CC) =O) (=O) [C@]1 (OC (CC) =O) [C@]2 (C) [C@@] (C[C@H]1C) ([C@]3 ([C@] ([C@@H] (O) C2) ([C@]4 (C) C (C[C@H]3Cl) =CC (=O) C=C4) [H]) [H]) [H]
Molecular Formula
C28H37ClO7
Molecular Weight
521.04
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Alclometasone Dipropionate

Alclometasone dipropionate is a prednisolone compound having an alpha-chloro substituent at the 7-position, an alpha-methyl substituent at the 16-position and O-propanoyl groups at the 17- and 21-positions. It has a role as an anti-inflammatory drug. It is a glucocorticoid, an 11beta-hydroxy steroid, a propanoate ester, a 20-oxo steroid, a steroid ester, a 3-oxo-Delta(1),Delta(4)-steroid and a chlorinated steroid. It is functionally related to a prednisolone.

CAS Number66734-13-2
PubChem CID636374
IUPAC Name[2-[(7R,8S,9S,10R,11S,13S,14S,16R,17R)-7-chloro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate
Molecular FormulaC28H37ClO7
Molecular Weight521.0
XLogP3.2
Topological Polar Surface Area107
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count36
Formal Charge0
Complexity1030
SMILES
CCC(=O)OCC(=O)[C@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2[C@@H](CC4=CC(=O)C=C[C@]34C)Cl)O)C)C)OC(=O)CC
InChI
InChI=1S/C28H37ClO7/c1-6-22(33)35-14-21(32)28(36-23(34)7-2)15(3)10-18-24-19(29)12-16-11-17(30)8-9-26(16,4)25(24)20(31)13-27(18,28)5/h8-9,11,15,18-20,24-25,31H,6-7,10,12-14H2,1-5H3/t15-,18+,19-,20+,24-,25+,26+,27+,28+/m1/s1
InChIKey
DJHCCTTVDRAMEH-DUUJBDRPSA-N
Chemical Structure
2D Structure
2D structure of Alclometasone Dipropionate
CAS: 66734-13-2
CID: 636374
Formula: C28H37ClO7
MW: 521.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight521.0
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass520.2227812
Monoisotopic Mass520.2227812
Topological Polar Surface Area107 Ų
Heavy Atom Count36
Formal Charge0
Complexity1030
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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AR-A01602-01Alclometasone Dipropionate
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AR-A01604-012-Bromo alclometasone dipropionate
AR-A01605-016-Des Chloro 6-hydroxy Alclometasone dipropionate
592496Alclometasone
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