Hydrocortamate

Base Information

• Chemical Name: Hydrocortamate
• CAS No.: 76-47-1
• Molecular Formula: C27H41 N O6
• Molecular Weight: 475.626
• European Community (EC) Number: 200-963-9
• UNII: Y3N00BK5WK
• DSSTox Substance ID: DTXSID1057824
• Nikkaji Number: J4.175K
• Wikipedia: Hydrocortamate
• Wikidata: Q5954721
• NCI Thesaurus Code: C65862
• Pharos Ligand ID: 4RN1XHVDRDX7
• Metabolomics Workbench ID: 43066
• ChEMBL ID: CHEMBL1201263
• Mol file: 76-47-1.mol

Synonyms:Hydrocortamate;76-47-1;Hidrocortamato;Hydrocortamatum;Magnacort;Hydrocortamate [INN];Ethamicort;Idrocortamato;Idrocortamato [DCIT];Hydrocortamatum [INN-Latin];Hidrocortamato [INN-Spanish];17-Hydroxycorticosterone, 21-(diethylamino)acetate;Hydrocortisone 21-(diethylamino)acetate;Hyddrocortison-21-(beta-diethylaminoacetat);EINECS 200-963-9;UNII-Y3N00BK5WK;Y3N00BK5WK;[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-(diethylamino)acetate;DTXSID1057824;C27H41NO6;CHEBI:50851;Glycine, N,N-diethyl-, 21-ester with cortisol;11beta,17-Dihydroxy-3,20-dioxo-4-pregnen-21-yl 2-(diethylamino)acetat;11beta,17alpha,21-Trihydroxypregn-4-ene-3,20-dione 21-diethylaminoacetate;Glycine, N,N-diethyl-, (11beta)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl ester;11beta,17-dihydroxy-3,20-dioxopregn-4-en-21-yl N,N-diethylglycinate;hydrocortamat-;D05RXI;HYDROCORTAMATE [MI];SCHEMBL24237;HYDROCORTAMATE [WHO-DD];CHEMBL1201263;DTXCID2031613;Tox21_113659;C27-H41-N-O6;DB00769;CAS-76-47-1;NCGC00249883-01;Cortisol 21-ester with N,N-diethylglycine;LS-177227;EN300-19765862;Q5954721;11.BETA.,17.ALPHA.,21-TRIHYDROXYPREGN-4-ENE-3,20-DIONE 21-DIETHYLAMINOACETATE;N,N-Diethylglycine (11beta)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl ester;2-[(1R,3aS,3bS,9aR,9bS,10S,11aS)-1,10-dihydroxy-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethyl 2-(diethylamino)acetate;2-[(1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-2,15-dimethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-14-yl]-2-oxoethyl 2-(diethylamino)acetate

Chemical Property of Hydrocortamate

Chemical Property:

• Vapor Pressure: 2.3E-18mmHg at 25°C
• Melting Point: 162-163°
• Boiling Point: 627.2°C at 760 mmHg
• Flash Point: 333.1°C
• PSA: 104.14000
• Density: 1.21g/cm³
• LogP: 2.67430
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 475.29338803
• Heavy Atom Count: 34
• Complexity: 880

Purity/Quality:

98%min ^*data from raw suppliers

HYDROCORTAMATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)CC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C)O
• Isomeric SMILES: CCN(CC)CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)O
• Uses: Hydrocortamate is a synthetic glucocorticoid with anti-inflammatory and immunosuppressive properties. It is used topically to treat inflammation due to corticosteroid-responsive dermatoses.

Technology Process of Hydrocortamate

There total 2 articles about Hydrocortamate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ Ethamicort (76-47-1)

Guidance literature:

Reference yield:

→ Hydrocortisone-21-diethylaminoacetate (76-47-1)

Guidance literature:

Hydrocortisone-21-jodoacetate (II), Diethylamin, Aceton, Δ;

DOI:10.1248/yakushi1947.91.8_863

Refernces

• 1、 Kawamura,Yamamoto,Fujisawa. "Pharmaceutical studies on water-soluble corticosteroid derivatives. II. Stability of hydrocortisone 21-aminoalkylcarboxylates in solution". . p. 863 - 870. Retrieved 2007/10/06.