4-{2-[(1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-2,15-dimethyl-5-oxotetracyclo[8.7.0.02,7.011,15]heptadec-6-en-14-yl]-2-oxoethoxy}-4-oxobutanoic acid sodium

• ChemBase ID: 155455
• Molecular Formular: C25H34NaO8
• Molecular Mass: 485.52243
• Monoisotopic Mass: 485.21513733
• SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)CCC(=O)O)O)C)O.[Na]
• Canonical SMILES: OC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C.[Na]
• InChI: InChI=1S/C25H34O8.Na/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
• InChIKey: LGKJVUKNTHOZJH-CODXZCKSSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{2-[(1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-2,15-dimethyl-5-oxotetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadec-6-en-14-yl]-2-oxoethoxy}-4-oxobutanoic acid sodium
• IUPAC Traditional name: solu-cortef sodium
• Synonyms: 11β,17α,21-Trihydroxy-4-pregnene-3,20-dione 21-hemisuccinate sodium salt; Cortisol 21-hemisuccinate sodium salt; Hydrocortisone 21-hemisuccinate sodium salt; 11β,17α,21-Trihydroxy-4-pregnene-3,20-dione 21-hemisuccinate 钠盐; 氢化可的松 21-半琥珀酸酯 钠盐; 氢化可的松琥珀酸酯 钠盐

Database IDs

• CAS Number: 125-04-2
• EC Number: 204-725-5
• MDL Number: MFCD00069472
• PubChem SID: 24278463; 162249593; 24895659
• PubChem CID: 16219411

CALCULATED PROPERTIES

• Acid pKa: 3.6580515
• H Acceptors: 7
• H Donor: 3
• LogD (pH = 5.5): -0.29817104
• LogD (pH = 7.4): -1.7807376
• Log P: 1.5411546
• Molar Refractivity: 117.4448 cm^3
• Polarizability: 46.39687 Å^3
• Polar Surface Area: 138.2 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble50 mg/mL
• Apperance: powder

Safety Information

• RTECS: GM9015000
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

Product Information

• Purity: ≥95% (TLC)
• Suitability: suitable for cell culture
• Product Line: BioReagent
• Empirical Formula (Hill Notation): C25H33NaO8

DETAILS

Sigma Aldrich - H2270

General description
Hydrocortisone for use in epithelial and endothelial adherent cell culture applications.