Deprodone

C21H28O4CAS 20423-99-8344.45 g/mol

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OHOOOH
AlcoholAlkeneKetone

Properties

Molecular formula
C21H28O4
Molar mass
344.45 g/mol
Exact mass
344.1988 Da
Melting point
271.5–273 °C (decomposes)
logP
2.59Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
1
Stereocentres
R, S, S, R, S, S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
20423-99-8
SMILES
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
InChIKey
KQZSMOGWYFPKCH-UJPCIWJBSA-N
InChI
InChI=1S/C21H28O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h6,8,10,15-18,24-25H,4-5,7,9,11H2,1-3H3/t15-,16-,17-,18+,19-,20-,21-/m0/s1

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Names and synonyms

5 names
  • Pregna-1,4-diene-3,20-dione, 11,17-dihydroxy-, (11β)-
  • Pregna-1,4-diene-3,20-dione, 11β,17-dihydroxy-
  • (11β)-11,17-Dihydroxypregna-1,4-diene-3,20-dione
  • 21-Deoxyprednisolone
  • Desolone

Work with Deprodone

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

Prednisolone50-24-878 % similar Prednisolone acetate52-21-174 % similar (6α,11β)-11,17-Dihydroxy-6-methylpregna-1,4-diene-3,20-dione6870-94-671 % similar Prednisolone 21-hemisuccinate2920-86-766 % similar Prednisolone sodium phosphate125-02-065 % similar Prednisolone sodium succinate1715-33-963 % similar 16α-Hydroxyprednisolone13951-70-759 % similar Rimexolone49697-38-358 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

7-Oxodehydroepiandrosterone 3-acetate1449-61-2 21-Deoxycortisone1882-82-2 (11α,16α)-16,17-Epoxy-11-hydroxypregn-4-ene-3,20-dione19427-36-2 Polyoxypropylene(2.2)-2,2-bis(4-hydroxyphenyl)propane37353-75-6

Elsewhere

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