Identification Common Name Alclometasone dipropionate Class Small Molecule Description A prednisolone compound having an alpha-chloro substituent at the 7-position, an alpha-methyl substituent at the 16-position and O-propanoyl groups at the 17- and 21-positions. Contaminant Sources HMDB Contaminants - Urine
STOFF IDENT Compounds
ToxCast & Tox21 Chemicals Contaminant Type Not Available Chemical Structure Synonyms Value Source Aclovate Kegg Aclovic acid Generator Alclometasone dipropionic acid Generator [2-[(7R,8S,9S,10R,11S,13S,14S,16R,17R)-7-chloro-11-Hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoic acid Generator 7 alpha-chloro-16 alpha-Methylprednisolone 17,21-dipropionate MeSH Aclosone MeSH Delonal MeSH Logoderm MeSH Modrasone MeSH Alclometasone dipropionate MeSH
Chemical Formula C28 H37 ClO7 Average Molecular Mass 521.050 g/mol Monoisotopic Mass 520.223 g/mol CAS Registry Number 66734-13-2 IUPAC Name 2-[(1S,2R,9R,10S,11S,13R,14R,15S,17S)-9-chloro-17-hydroxy-2,13,15-trimethyl-5-oxo-14-(propanoyloxy)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-3,6-dien-14-yl]-2-oxoethyl propanoate Traditional Name aclovate SMILES [H][C@@]12C[C@@H](C)[C@](OC(=O)CC)(C(=O)COC(=O)CC)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])[C@H](Cl)CC2=CC(=O)C=C[C@]12C InChI Identifier InChI=1S/C28H37ClO7/c1-6-22(33)35-14-21(32)28(36-23(34)7-2)15(3)10-18-24-19(29)12-16-11-17(30)8-9-26(16,4)25(24)20(31)13-27(18,28)5/h8-9,11,15,18-20,24-25,31H,6-7,10,12-14H2,1-5H3/t15-,18+,19-,20+,24-,25+,26+,27+,28+/m1/s1 InChI Key DJHCCTTVDRAMEH-DUUJBDRPSA-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
Steroid ester
20-oxosteroid
3-oxo-delta-1,4-steroid
3-oxosteroid
11-hydroxysteroid
11-beta-hydroxysteroid
Oxosteroid
7-halo-steroid
Halo-steroid
Hydroxysteroid
Delta-1,4-steroid
Alpha-acyloxy ketone
Dicarboxylic acid or derivatives
Cyclic alcohol
Carboxylic acid ester
Cyclic ketone
Secondary alcohol
Ketone
Carboxylic acid derivative
Alcohol
Organic oxide
Hydrocarbon derivative
Organic oxygen compound
Carbonyl group
Alkyl halide
Alkyl chloride
Organooxygen compound
Organochloride
Organohalogen compound
Aliphatic homopolycyclic compound Molecular Framework Aliphatic homopolycyclic compounds External Descriptors