Cas no 6677-99-2 (Hydrocortisone 21-Butyrate)

Hydrocortisone 21-Butyrate structure
Hydrocortisone 21-Butyrate structure
Product Name:Hydrocortisone 21-Butyrate
CAS No:6677-99-2
MF:C25H36O6
MW:432.549748420715
CID:505454
PubChem ID:10365526
Update Time:2025-04-19

Hydrocortisone 21-Butyrate Chemical and Physical Properties

Names and Identifiers

    • Pregn-4-ene-3,20-dione,11,17-dihydroxy-21-(1-oxobutoxy)-, (11b)-
    • Hydrocortisone 21-Butyrate
    • 11beta,17,21-trihydroxypregn-4-ene-3,20-dione 21-butyrate
    • cortisol 21-butyrate
    • HB21
    • hydrocortisone butyrate
    • hydrocortisone-21-butyrate
    • DTXSID00875538
    • XX86T7RLSC
    • Hydrocortisone 21-butyrate; Cortisol 21-butyrate; Butyric acid, 21-ester with cortisol; (11beta)-11,17-Dihydroxy-21-(1-oxobutoxy)-pregn-4-ene-3,20-dione
    • SCHEMBL4696
    • PREGN-4-ENE-3,20-DIONE, 11,17-DIHYDROXY-21-(1-OXOBUTOXY)-, (11.BETA.)-
    • UNII-XX86T7RLSC
    • Stero To
    • [2-[(8S,9S,10R,11R,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] butanoate
    • [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] butanoate
    • Pregn-4-en-3,20-dione, 11,17-dihydroxy-21-(1-oxobutoxy)-, (11-beta)-
    • hydrocortison-21-butyrat
    • AS-58772
    • AKOS016016022
    • Isdinium
    • NS00047133
    • EINECS 229-715-8
    • Ceneo
    • 6677-99-2
    • HB(sub 21)
    • CORTISOL, 21-BUTYRATE
    • Pregn-4-en-3,20-dione, 11,17-dihydroxy-21-(1-oxobutoxy)-, (11-beta)-(9CI)
    • PREGN-4-ENE-3,20-DIONE, 11,17-DIHYDROXY-21-(1-OXOBUTOXY)-, (11BETA)-
    • Inchi: 1S/C25H36O6/c1-4-5-21(29)31-14-20(28)25(30)11-9-18-17-7-6-15-12-16(26)8-10-23(15,2)22(17)19(27)13-24(18,25)3/h12,17-19,22,27,30H,4-11,13-14H2,1-3H3/t17-,18-,19-,22+,23-,24-,25-/m0/s1
    • InChI Key: YZNQMPPBWQTLFJ-TUFAYURCSA-N
    • SMILES: O[C@]1(C(COC(CCC)=O)=O)CC[C@H]2[C@@H]3CCC4=CC(CC[C@]4(C)[C@H]3[C@H](C[C@@]21C)O)=O

Computed Properties

  • Exact Mass: 432.25100
  • Monoisotopic Mass: 432.251189
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 6
  • Complexity: 817
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 6
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.1
  • Topological Polar Surface Area: 101

Experimental Properties

  • Density: 1.23
  • Melting Point: 191-193°C
  • Boiling Point: 506.2°C (rough estimate)
  • Flash Point: 197.7°C
  • Refractive Index: 1.5200 (estimate)
  • PSA: 100.90000
  • LogP: 3.13260

Hydrocortisone 21-Butyrate Pricemore >>

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Hydrocortisone 21-Butyrate Production Method

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