Betnovate-C

5-chloro-7-iodoquinolin-8-ol;[(8S,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] pentanoate

Also Known As: Betnovate-C|5-chloro-7-iodoquinolin-8-ol;[(8S,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] pentanoate|(11beta,16beta)-9-Fluoro-11,21-dihydroxy-16-methyl-17-((1-oxopentyl)oxy)-Pregna-1,4-diene-3,20-dione mixt. with 5-chloro-7-iodo-8-qu inolinol|(9xi)-9-Fluoro-11beta,21-dihydroxy-16beta-methyl-3,20-dioxopregna-1,4-dien-17-yl pentanoate--5-chloro-7-iodoquinolin-8-ol (1/1)|5-chloro-7-iodoquinolin-8-ol; [(8S,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] pentanoate|9-Fluoro-11,21-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl pentanoate--5-chloro-7-iodoquinolin-8-ol (1/1)|Pregna-1,4-diene-3,20-dione, 9-fluoro-11,21-dihydroxy-16-methyl-17-((1-oxopentyl)oxy)-, (11beta,16beta)-, mixt. with 5-chloro-7-iodo-8-quinolinol

Molecular Formula	C36H42ClFINO7
Molecular Weight	781.16785 g/mol
LogP	6.8352
Topological Polar Surface Area	134.0 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	9
Rotatable Bonds	7
Exact Mass	781.16785
Monoisotopic Mass	781.16785
Heavy Atoms	47
Complexity	1150.0

Chemical Identifiers

CAS Number	53262-70-7
SMILES	CCCCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H](C3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)CO.C1=CC2=C(C(=C(C=C2Cl)I)O)N=C1
InChIKey	GGMXWHRZJSEEMV-UBYGFFDOSA-N