Identification Common Name Clocortolone pivalate Class Small Molecule Description The 21-O-pivalate ester of clocortolone. It is used for the relief of inflammatory and pruritic (itching) skin disorders. Contaminant Sources HMDB Contaminants - Urine
STOFF IDENT Compounds
ToxCast & Tox21 Chemicals Contaminant Type Not Available Chemical Structure Synonyms Value Source 9-Chloro-6alpha-fluoro-11beta,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 21-pivalate ChEBI Clocortolone 21-pivalate ChEBI 9-Chloro-6a-fluoro-11b,21-dihydroxy-16a-methylpregna-1,4-diene-3,20-dione 21-pivalate Generator 9-Chloro-6a-fluoro-11b,21-dihydroxy-16a-methylpregna-1,4-diene-3,20-dione 21-pivalic acid Generator 9-Chloro-6alpha-fluoro-11beta,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 21-pivalic acid Generator 9-Chloro-6α-fluoro-11β,21-dihydroxy-16α-methylpregna-1,4-diene-3,20-dione 21-pivalate Generator 9-Chloro-6α-fluoro-11β,21-dihydroxy-16α-methylpregna-1,4-diene-3,20-dione 21-pivalic acid Generator Clocortolone 21-pivalic acid Generator Clocortolone pivalic acid Generator Cloderm MeSH Clocortolone trimethylacetate MeSH CL 68 MeSH Purantix MeSH
Chemical Formula C27 H36 ClFO5 Average Molecular Mass 495.030 g/mol Monoisotopic Mass 494.224 g/mol CAS Registry Number 34097-16-0 IUPAC Name 2-[(1R,2S,8S,10S,11S,13R,14S,15S,17S)-1-chloro-8-fluoro-17-hydroxy-2,13,15-trimethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-3,6-dien-14-yl]-2-oxoethyl 2,2-dimethylpropanoate Traditional Name clocortolone SMILES [H][C@@]12C[C@@H](C)[C@H](C(=O)COC(=O)C(C)(C)C)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C InChI Identifier InChI=1S/C27H36ClFO5/c1-14-9-16-17-11-19(29)18-10-15(30)7-8-26(18,6)27(17,28)21(32)12-25(16,5)22(14)20(31)13-34-23(33)24(2,3)4/h7-8,10,14,16-17,19,21-22,32H,9,11-13H2,1-6H3/t14-,16+,17+,19+,21+,22-,25+,26+,27+/m1/s1 InChI Key SXYZQZLHAIHKKY-GSTUPEFVSA-N Chemical Taxonomy Description belongs to the class of organic compounds known as gluco/mineralocorticoids, progestogins and derivatives. These are steroids with a structure based on a hydroxylated prostane moiety. Kingdom Organic compounds Super Class Lipids and lipid-like molecules Class Steroids and steroid derivatives Sub Class Pregnane steroids Direct Parent Gluco/mineralocorticoids, progestogins and derivatives Alternative Parents Substituents Progestogin-skeleton
20-oxosteroid
3-oxo-delta-1,4-steroid
3-oxosteroid
11-hydroxysteroid
11-beta-hydroxysteroid
Oxosteroid
9-halo-steroid
6-halo-steroid
Halo-steroid
Hydroxysteroid
Delta-1,4-steroid
Alpha-acyloxy ketone
Cyclic alcohol
Carboxylic acid ester
Chlorohydrin
Cyclic ketone
Secondary alcohol
Halohydrin
Ketone
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Organooxygen compound
Alcohol
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Carbonyl group
Alkyl halide
Organofluoride
Organochloride
Alkyl chloride
Organohalogen compound
Alkyl fluoride
Aliphatic homopolycyclic compound Molecular Framework Aliphatic homopolycyclic compounds External Descriptors 
