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Substance Name: Prednisolone 21-trimethylacetate
RN: 1107-99-9
UNII: 24W6S37NXU
InChIKey: PHEOVVDXTQVHAZ-XDANTLIUSA-N

Molecular Formula

  • C26-H36-O6

Molecular Weight

  • 444.5644
 
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Names and Synonyms

Name of Substance

  • Mecortolon
  • Prednisolone 21-trimethylacetate

Synonyms

  • EINECS 214-172-1
  • UNII-24W6S37NXU

Systematic Name

  • Prednisolone 21-pivalate

Registry Numbers

CAS Registry Number

  • 1107-99-9

FDA UNII

  • 24W6S37NXU

System Generated Number

  • 0001107999

Structure Descriptors

InChI

1S/C26H36O6/c1-23(2,3)22(30)32-14-20(29)26(31)11-9-18-17-7-6-15-12-16(27)8-10-24(15,4)21(17)19(28)13-25(18,26)5/h8,10,12,17-19,21,28,31H,6-7,9,11,13-14H2,1-5H3/t17-,18-,19-,21+,24-,25-,26-/m0/s1

InChIKey

PHEOVVDXTQVHAZ-XDANTLIUSA-N

Smiles

[C@H]12[C@H]([C@H]3[C@](C[C@@H]2O)([C@](CC3)(C(=O)COC(=O)C(C)(C)C)O)C)CCC2=CC(=O)C=C[C@]12C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 233 deg C   EXP
log P (octanol-water) 3.500 (none)   EST
Water Solubility 11.6 mg/L 25 EXP
Atmospheric OH Rate Constant 7.15E-11 cm3/molecule-sec 25 EST

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