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Substance Name: Hydrocortisone 21-butyrate
RN: 6677-99-2
UNII: XX86T7RLSC
InChIKey: YZNQMPPBWQTLFJ-TUFAYURCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H36-O6

Molecular Weight

  • 432.5534
 
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Names and Synonyms

Name of Substance

  • Hydrocortisone 21-butyrate

Synonyms

  • Ceneo
  • EINECS 229-715-8
  • HB(sub 21)
  • Hydrocortisone-21-butyrate
  • Isdinium
  • Stero To
  • UNII-XX86T7RLSC

Systematic Names

  • 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-butyrate
  • Cortisol, 21-butyrate
  • Pregn-4-en-3,20-dione, 11,17-dihydroxy-21-(1-oxobutoxy)-, (11-beta)- (9CI)

Registry Numbers

CAS Registry Number

  • 6677-99-2

FDA UNII

  • XX86T7RLSC

System Generated Number

  • 0006677992

Structure Descriptors

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

InChIKey

YZNQMPPBWQTLFJ-TUFAYURCSA-N

Smiles

CCCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 2070mg/kg (2070mg/kg) SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
Journal of Toxicological Sciences. Vol. 6(Suppl,

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.91 (none)   EXP
Water Solubility 3.690 mg/L 25 EST
Vapor Pressure 3.43E-14 mm Hg 25 EST
Henry's Law Constant 1.10E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.15E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.