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
Thumb
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
Wikipedia
Tixocortol_pivalate
Predicted Properties
PropertyValueSource
Water Solubility0.0131 mg/mLALOGPS
logP3.31ALOGPS
logP3.96ChemAxon
logS-4.6ALOGPS
pKa (Strongest Acidic)12.66ChemAxon
pKa (Strongest Basic)-2.8ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area91.67 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity126.7 m3·mol-1ChemAxon
Polarizability51.86 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon