11,17,21-Trihydroxypregn-4-ene-3,20-dione

Base Information

• Chemical Name: 11,17,21-Trihydroxypregn-4-ene-3,20-dione
• CAS No.: 73565-87-4
• Molecular Formula: C21H26 D4 O5
• Molecular Weight: 350.49
• European Community (EC) Number: 694-327-1
• Wikidata: Q27167016
• ChEMBL ID: CHEMBL1730629
• Mol file: 73565-87-4.mol

Synonyms:11,17,21-Trihydroxypregn-4-ene-3,20-dione;MLS001074333;CORTISOL-1,2-D2;1,10-dihydroxy-1-(2-hydroxyacetyl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one;(8S,9S,10R,11R,13S,14S,17R)-11,17-Dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one;CHEMBL1730629;SCHEMBL12737556;CHEBI:95202;HMS2230P20;HMS3369A04;73565-87-4;BBL033643;STL372840;AKOS005058485;SMR000674616;VS-12198;EU-0099955;4-Pregnene-11ss,17a,21-triol-3,20-dione;EN300-296082;SR-01000214153;SR-01000214153-1;Q27167016;11,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one

Chemical Property of 11,17,21-Trihydroxypregn-4-ene-3,20-dione

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 211-214 °C
• Refractive Index: 1.595
• Boiling Point: 566.45°C at 760 mmHg
• Flash Point: 310.428°C
• PSA: 74.60000
• Density: 1.302g/cm³
• LogP: 2.81080
• Storage Temp.: -20°C Freezer
• Solubility.: DMSO (Slightly), Ethanol (Slightly, Heated), Methanol (Slightly, Heated), Water
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 362.20932405
• Heavy Atom Count: 26
• Complexity: 684

Purity/Quality:

97% ^*data from raw suppliers

Cortisol-9,11,12,12-d4 ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn,T,F
• Statements: 63-39/23/24/25-23/24/25-11
• Safety Statements: 36/37-45-16-7

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O
• Description: Hydrocortisone-d4 is intended for use as an internal standard for the quantification of hydrocortisone/cortisol by GC- or LC-MS. Cortisol, known as hydrocortisone when used as a therapeutic, is a glucocorticoid produced by the adrenal cortex in response to adrenocorticotropic hormone (ACTH). It is an agonist at the mineralocorticoid receptor (MR) and the glucocorticoid receptor (GR), with an approximately 6- to 10-fold greater affinity for MR. Cortisol production is increased during periods of stress, and it is a major effector molecule in the hypothalamic-pituitary-adrenal axis (HPA) stress response. Cortisol levels increase with age and are often elevated in major depressive disorder, certain forms of hypertension, and Parkinson''s disease.
• Uses: Labelled Cortisol (H714615). Cortisol, or Hydrocortisone, is a steroid hormone, more specifically a glucocorticoid, produced by the zona fasciculata of the adrenal gland. Cortisol is released in response to stress and a low level of blood glucocorticoids. Its primary functions are to increase blood sugar through gluconeogenesis; suppress the immune system; and aid in fat, protein and carbohydrate metabolism. Anti-inflammatory hormone