Tixocortol pivalateProduct ingredient for Tixocortol
- Name
- Tixocortol pivalate
- Drug Entry
- Tixocortol
Tixocortol is a 21-thiol derivative of hydrocortisone classified as a class A corticosteroid. It is a synthetic steroid with topical anti-inflammatory properties without the systemic glucocorticoid and mineralocorticoid activities and toxicity.11
- Accession Number
- DBSALT001131
- Structure
Structure for Tixocortol pivalate (DBSALT001131)
- Synonyms
- Not Available
- UNII
- 6K28E35M3B
- CAS Number
- 55560-96-8
- Weight
- Average: 462.65
Monoisotopic: 462.243995498 - Chemical Formula
- C26H38O5S
- InChI Key
- BISFDZNIUZIKJD-XDANTLIUSA-N
- InChI
- InChI=1S/C26H38O5S/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/h12,17-19,21,28,31H,6-11,13-14H2,1-5H3/t17-,18-,19-,21+,24-,25-,26-/m0/s1
- IUPAC Name
- (1S,2R,10S,11S,14R,15S,17S)-14-{2-[(2,2-dimethylpropanoyl)sulfanyl]acetyl}-14,17-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one
- SMILES
- CC(C)(C)C(=O)SCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
- External Links
- ChemSpider
- 16499327
- ChEBI
- 63564
- ChEMBL
- CHEMBL2107112
- ZINC
- ZINC000004214485
- Wikipedia
- Tixocortol_pivalate
- Predicted Properties
Property Value Source Water Solubility 0.0131 mg/mL ALOGPS logP 3.31 ALOGPS logP 3.96 Chemaxon logS -4.6 ALOGPS pKa (Strongest Acidic) 12.66 Chemaxon pKa (Strongest Basic) -2.8 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 91.67 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 126.7 m3·mol-1 Chemaxon Polarizability 51.86 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon