GRADE & PURITY Moligand™, 10mM in DMSO

Synonyms

Betamethasone sodium phosphate|151-73-5|Bentelan|Betamethasone 21-phosphate disodium salt|Betamethasone disodium phosphate|beta-Methasone phosphate|Betamethazone disodium phosphate|Betamethasone 21-phosphate disodium|Betamethasone 21-disodium phosphate|NS

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Betamethasone 21-phosphate sodium salt is a corticosteroid with anti-inflammatory and immunosuppressive abilities. Betamethasone 21-phosphate sodium salt is used where water retention is undesirable.
An anti-inflammatory agent

Specifications

Synonyms

Betamethasone sodium phosphate | 151-73-5 | Bentelan | Betamethasone 21-phosphate disodium salt | Betamethasone disodium phosphate | beta-Methasone phosphate | Betamethazone disodium phosphate | Betamethasone 21-phosphate disodium | Betamethasone 21-disodium phosphate | NS

Specifications & Purity

Moligand™, 10mM in DMSO

Biochemical and Physiological Mechanisms

Betamethasone is a corticosteroid with anti-inflammatory and immunosuppressive abilities, used especially where water retention is undesirable. It is applied as a topical cream, ointment, lotion or gel to treat itching (e.g. from eczema). Corticosteroid u

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

AGONIST

Mechanism of action

Glucocorticoid receptor agonist

Names and Identifiers

• Canonical Smiles: CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COP(=O)([O-])[O-])O)C)O)F)C.[Na+].[Na+]
• IUPAC Name: disodium;[2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] phosphate
• InChIKey: PLCQGRYPOISRTQ-LWCNAHDDSA-L
• INCHI: 1S/C22H30FO8P.2Na/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30;;/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30);;/q;2*+1/p-2/t12-,15-,16-,17-,19-,20-,21-,22-;;/m0../s1
• Isomeric SMILES: C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COP(=O)([O-])[O-])O)C)O)F)C.[Na+].[Na+]
• WGK Germany: 3
• RTECS: TU4056500
• Molecular Weight: 516.4
• Reaxy-Rn: 29316793
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29316793&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Steroids and steroid derivatives
      • Subclass Pregnane steroids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Steroids and steroid derivatives
• Subclass: Pregnane steroids
• Intermediate Tree Nodes: Not available
• Direct Parent: Gluco/mineralocorticoids, progestogins and derivatives
• Alternative Parents: 20-oxosteroids 11-beta-hydroxysteroids 17-hydroxysteroids 3-oxo delta-1,4-steroids Halogenated steroids Delta-1,4-steroids Glycerone phosphates Alkyl phosphates Tertiary alcohols Alpha-hydroxy ketones Secondary alcohols Cyclic alcohols and derivatives Cyclic ketones Fluorohydrins Organic metal halides Alkyl fluorides Hydrocarbon derivatives Organofluorides Organic sodium salts Organic oxides
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Progestogin-skeleton - 20-oxosteroid - 3-oxo-delta-1,4-steroid - 3-oxosteroid - 9-halo-steroid - Halo-steroid - Hydroxysteroid - Oxosteroid - 11-beta-hydroxysteroid - 11-hydroxysteroid - 17-hydroxysteroid - Delta-1,4-steroid - Glycerone phosphate - Alkyl phosphate - Phosphoric acid ester - Organic phosphoric acid derivative - Tertiary alcohol - Alpha-hydroxy ketone - Cyclic alcohol - Secondary alcohol - Cyclic ketone - Fluorohydrin - Ketone - Halohydrin - Organic metal halide - Organic alkali metal salt - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organic oxygen compound - Organofluoride - Carbonyl group - Organooxygen compound - Alkyl halide - Alkyl fluoride - Alcohol - Organic salt - Organic sodium salt - Aliphatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as gluco/mineralocorticoids, progestogins and derivatives. These are steroids with a structure based on a hydroxylated prostane moiety.
• External Descriptors: organic sodium salt

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Specific Rotation[α]: 102° (C=1,H2O)
• Molecular Weight: 516.400 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 516.13 Da
• Monoisotopic Mass: 516.13 Da
• Topological Polar Surface Area: 147.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 961.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 8
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

XLogP3

References

1. Huang Suiyuan, Sun Xuehua, Xin Jianwei, Ma Panpan, Zhang Yuqi, Cai Zhongyu, Wang Ji-Jiang.  (2025)  Molecularly imprinted hydrogels embedded with two-dimensional photonic crystals for the detection of dexamethasone/betamethasone sodium phosphate.  MICROCHIMICA ACTA,  192  (2): (1-11).  [PMID:39878789] [10.1007/s00604-025-06981-w]

2. Mingyu Cui, Suiyuan Huang, Jianwei Xin, Panpan Ma, Liping Heng, Yuqi Zhang, Ji-Jiang Wang.  (2025)  Molecularly Imprinted Chitosan-Polyvinyl Alcohol Two-Dimensional Photonic Hydrogel for Detecting Hormones.  Advanced Materials Technologies,      [PMID:] [10.1002/admt.202501904]