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Substance Name: 16,17-(4-Dimethylaminobenzylidene)triamcinolone-21beta-benzoylaminoisobutyrate
RN: 54850-20-3
InChIKey: YFFLWHIVOISIMF-ADFVGWLESA-N

Molecular Weight

  • 714.826
 
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Names and Synonyms

Name of Substance

  • 16,17-(4-Dimethylaminobenzylidene)triamcinolone-21beta-benzoylaminoisobutyrate

Synonym

  • 16,17-p-Dimethylaminobenzylidenetriamcinolone-21beta-benzoylaminoisobutyrate

Systematic Name

  • Pregna-1,4-diene-3,20-dione, 21-(2-(benzoylamino)-2-methyl-1-oxopropoxy)-16,17-(((4-(dimethylamino)phenyl)methylene)bis(oxy))-9-fluoro-11-hydroxy-, (11beta,16alpha)-

Registry Numbers

CAS Registry Number

  • 54850-20-3

System Generated Number

  • 0054850203

Structure Descriptors

InChI

1S/C41H47FN2O8/c1-37(2,43-34(48)24-10-8-7-9-11-24)36(49)50-23-32(47)41-33(51-35(52-41)25-12-15-27(16-13-25)44(5)6)21-30-29-17-14-26-20-28(45)18-19-38(26,3)40(29,42)31(46)22-39(30,41)4/h7-13,15-16,18-20,29-31,33,35,46H,14,17,21-23H2,1-6H3,(H,43,48)/t29?,30?,31-,33-,35?,38-,39-,40?,41+/m0/s1

InChIKey

YFFLWHIVOISIMF-ADFVGWLESA-N

Smiles

C(C(NC(c1ccccc1)=O)(C)C)(=O)OCC([C@@]12[C@H](C[C@@H]3[C@@H]4CCC5=CC(C=C[C@@]5([C@@]4([C@H](C[C@@]13C)O)F)C)=O)O[C@@H](c1ccc(cc1)N(C)C)O2)=O