Betamethasone Tripropionate - ≥94% , CAS No.1186048-33-8

CAS: 1186048-33-8 Cat. No.: B336233 Peso molecular: 560.65 Número EC: 891-971-7 PubChem CID: 68122919

GRADE & PURITY ≥94%

Synonyms

UNII-BE608TNS5G | Pregna-1,4-diene-3,20-dione, 9-fluoro-16-methyl-11,17,21-tris(1-oxopropoxy)-, (11beta,16beta)- | Q27274615 | Betamethasone Tripropionate | Betamethasone 11,17,21-Tripropionate | DTXSID90737999 | 9-Fluoro-16beta-methyl-3,20-dioxopregna-1,

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Betamethasone Tripropionate is a Betamethasone related compound.

Specifications

Sinónimos

UNII-BE608TNS5G | Pregna-1, 4-diene-3, 20-dione, 9-fluoro-16-methyl-11, 17, 21-tris(1-oxopropoxy)-, (11beta, 16beta)- | Q27274615 | Betamethasone Tripropionate | Betamethasone 11, 17, 21-Tripropionate | DTXSID90737999 | 9-Fluoro-16beta-methyl-3, 20-dioxopregna-1,

Especificaciones y pureza

≥94%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥94%

Nombres e identificadores

• Pubchem Sid: 504771927
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771927
• Sonrisas canónicas: CCC(=O)OCC(=O)C1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)F)OC(=O)CC)C)C)OC(=O)CC
• IUPAC Name: [2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-10,13,16-trimethyl-3-oxo-11,17-di(propanoyloxy)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate
• InChIKey: MWHBGLRGUXAGHT-DGBYXFBUSA-N
• INCHI: 1S/C31H41FO8/c1-7-25(35)38-17-23(34)31(40-27(37)9-3)18(4)14-22-21-11-10-19-15-20(33)12-13-28(19,5)30(21,32)24(16-29(22,31)6)39-26(36)8-2/h12-13,15,18,21-22,24H,7-11,14,16-17H2,1-6H3/t18-,21-,22-,24-,28-,29-,30-,31-/m0/s1
• Isómeros SMILES: CCC(=O)OCC(=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)OC(=O)CC)C)C)OC(=O)CC
• PubChem CID: 68122919
• Peso molecular: 560.65

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Steroids and steroid derivatives
• Subclass: Pregnane steroids
• Intermediate Tree Nodes: Not available
• Direct Parent: Gluco/mineralocorticoids, progestogins and derivatives
• Alternative Parents: Steroid esters 20-oxosteroids Halogenated steroids 3-oxo delta-1,4-steroids Delta-1,4-steroids Tricarboxylic acids and derivatives Alpha-acyloxy ketones Cyclic ketones Carboxylic acid esters Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Progestogin-skeleton - Steroid ester - 20-oxosteroid - 3-oxo-delta-1,4-steroid - 3-oxosteroid - Oxosteroid - 9-halo-steroid - Halo-steroid - Delta-1,4-steroid - Tricarboxylic acid or derivatives - Alpha-acyloxy ketone - Carboxylic acid ester - Cyclic ketone - Ketone - Carboxylic acid derivative - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Organofluoride - Organohalogen compound - Aliphatic homopolycyclic compound
• Descripción: 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: Not available

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

Propiedades químicas y físicas

• Solubilidad: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• Punto de fusión (°C): 85 - 94°C
• Peso molecular: 560.600 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 11
• Exact Mass: 560.279 Da
• Monoisotopic Mass: 560.279 Da
• Topological Polar Surface Area: 113.000 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 1170.000
• 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: 1