chempirical

Hydrocortisone hemisuccinate

C25H34O8CAS 2203-97-6462.54 g/mol

Open in Covalent MOL file
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AlcoholAlkeneCarboxylic acidEsterKetone

Properties

Molecular formula
C25H34O8
Molar mass
462.54 g/mol
Exact mass
462.2254 Da
Melting point
170–172 °C
logP
2.20Crippen estimate
Polar surface area
138.2 Ų
H-bond donors / acceptors
3 / 7
Rotatable bonds
6
Stereocentres
R, S, S, S, S, S, Rin SMILES atom order

Identifiers

CAS number
2203-97-6
SMILES
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)O
InChIKey
VWQWXZAWFPZJDA-CGVGKPPMSA-N
InChI
InChI=1S/C25H34O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h11,16-18,22,27,32H,3-10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22+,23-,24-,25-/m0/s1

Weigh it out

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

Names and synonyms

15 names · show all
  • Pregn-4-ene-3,20-dione, 21-(3-carboxy-1-oxopropoxy)-11,17-dihydroxy-, (11β)-
  • Cortisol, 21-(hydrogen succinate)
  • Cortisol, hydrogen succinate
  • (11β)-21-(3-Carboxy-1-oxopropoxy)-11,17-dihydroxypregn-4-ene-3,20-dione
  • Cortisol 21-hemisuccinate
  • Hydrocortisone 21-hemisuccinate
  • Hydrocortisone 21-(hydrogen succinate)
  • Hydrocortisone 21-succinate
  • Cortisol hemisuccinate
  • Hydrocortisone succinate
  • Cortisol succinate
  • Hydrocortisone hydrogen succinate
  • Saxizon
  • NSC 7576
  • Hydrocortisone 21-O-β-carbonylpropionic acid

Work with Hydrocortisone hemisuccinate

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

Hydrocortisone sodium succinate125-04-279 % similar Hydrocortisone acetate50-03-376 % similar Cortisol50-23-770 % similar Prednisolone 21-hemisuccinate2920-86-770 % similar Hydrocortisone sodium phosphate6000-74-466 % similar Methylprednisolone succinate2921-57-559 % similar 21-(Acetyloxy)-17-hydroxypregn-4-ene-3,20-dione640-87-957 % similar Psi 352707-13C,D31256490-46-657 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook