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Betamethasone Valerate

CAT: 1568-C16449-50mgSize: 50 mgDry Ice: YesHazardous: No
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CAT#:1568-C16449-50mgSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2152-44-5
Target
Glucocorticoid Receptor
Applications
Endocrinology & Hormones
Smiles
CCCCC (=O) OC1 (C (CC2C1 (CC (C3 (C2CCC4=CC (=O) C=CC43C) F) O) C) C) C (=O) CO
Molecular Formula
C27H37FO6
Additionnal Information
Betamethasone Valerate is a moderately potent glucocorticoid steroid with anti-inflammatory and immunosuppressive properties.
Storage Conditions
2 years -80 in solvent

Chemical Information

Betamethasone Valerate

Betamethasone valerate is a steroid ester that is betamethasone in which the hydroxy group at the 17alpha position has been converted to the corresponding pentanoate ester. It has a role as an anti-inflammatory drug. It is a primary alpha-hydroxy ketone, a 21-hydroxy steroid, an 11beta-hydroxy steroid, a 20-oxo steroid, a steroid ester, a fluorinated steroid and a 3-oxo-Delta(1),Delta(4)-steroid. It is functionally related to a betamethasone.

CAS Number2152-44-5
PubChem CID16533
IUPAC Name[(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] pentanoate
Molecular FormulaC27H37FO6
Molecular Weight476.6
XLogP3.6
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity957
SMILES
CCCCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)CO
InChI
InChI=1S/C27H37FO6/c1-5-6-7-23(33)34-27(22(32)15-29)16(2)12-20-19-9-8-17-13-18(30)10-11-24(17,3)26(19,28)21(31)14-25(20,27)4/h10-11,13,16,19-21,29,31H,5-9,12,14-15H2,1-4H3/t16-,19-,20-,21-,24-,25-,26-,27-/m0/s1
InChIKey
SNHRLVCMMWUAJD-SUYDQAKGSA-N
Chemical Structure
2D Structure
2D structure of Betamethasone Valerate
CAS: 2152-44-5
CID: 16533
Formula: C27H37FO6
MW: 476.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight476.6
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass476.25741706
Monoisotopic Mass476.25741706
Topological Polar Surface Area101 Ų
Heavy Atom Count34
Formal Charge0
Complexity957
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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