chempirical

Deflazacort

C25H31NO6CAS 14484-47-0441.52 g/mol

Open in Covalent MOL file
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AlcoholAlkeneEsterKetone

Properties

Molecular formula
C25H31NO6
Molar mass
441.52 g/mol
Exact mass
441.2151 Da
Melting point
256 °C
logP
2.56Crippen estimate
Polar surface area
102.3 Ų
H-bond donors / acceptors
1 / 7
Rotatable bonds
3
Stereocentres
S, R, S, S, R, S, S, Sin SMILES atom order

Identifiers

CAS number
14484-47-0
SMILES
CC(=O)OCC(=O)[C@@]12N=C(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C
InChIKey
FBHSPRKOSMHSIF-GRMWVWQJSA-N
InChI
InChI=1S/C25H31NO6/c1-13-26-25(20(30)12-31-14(2)27)21(32-13)10-18-17-6-5-15-9-16(28)7-8-23(15,3)22(17)19(29)11-24(18,25)4/h7-9,17-19,21-22,29H,5-6,10-12H2,1-4H3/t17-,18-,19-,21+,22+,23-,24-,25+/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

17 names · show all
  • 5′H-Pregna-1,4-dieno[17,16-d]oxazole-3,20-dione, 21-(acetyloxy)-11-hydroxy-2′-methyl-, (11β,16β)-
  • 5′βH-Pregna-1,4-dieno[17,16-d]oxazole-3,20-dione, 11β,21-dihydroxy-2′-methyl-, 21-acetate
  • 2H-Naphth[2′,1′:4,5]indeno[1,2-d]oxazole, 5′H-pregna-1,4-dieno[17,16-d]oxazole-3,20-dione deriv.
  • (11β,16β)-21-(Acetyloxy)-11-hydroxy-2′-methyl-5′H-pregna-1,4-dieno[17,16-d]oxazole-3,20-dione
  • Dezacort
  • Flantadin
  • Azacort
  • DL 458IT
  • L 5458
  • Lantadin
  • MDL 458
  • Deflan
  • Dezacor
  • Calcort
  • Oxazacort
  • Azacortinol
  • Emflaza

Work with Deflazacort

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Prednisolone acetate52-21-168 % similar Desonide638-94-856 % similar 16α-Hydroxyprednisolone13951-70-756 % similar Rimexolone49697-38-355 % similar Ciclesonide126544-47-654 % similar Budesonide51333-22-353 % similar (22R)-Budesonide51372-29-353 % similar Prednisolone 21-hemisuccinate2920-86-753 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook