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Fluocinolone Acetonide Impurity 22

CAT: 1299-RM-F122922-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-F122922-01Size:10 mg
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CAS Number
1181-32-4
Synonyms
2- ((2S,6aS,6bR,7S,8aS,8bS,11aR,12aS,12bS) -2-chloro-6b-fluoro-7-hydroxy-6a,8a,10,10-tetramethyl-4-oxo-2,4,6a,6b,7,8,8a,8b,11a,12,12a,12b-dodecahydro-1H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-8b-yl) -2-oxoethyl acetate
Molecular Formula
C26H32ClFO7
Molecular Weight
510.98
Target Alternative Name
Fluocinolone
Product Name Synonym
2- ((2S,6aS,6bR,7S,8aS,8bS,11aR,12aS,12bS) -2-chloro-6b-fluoro-7-hydroxy-6a,8a,10,10-tetramethyl-4-oxo-2,4,6a,6b,7,8,8a,8b,11a,12,12a,12b-dodecahydro-1H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-8b-yl) -2-oxoethyl acetate

Chemical Information

21-Acetyl-6alpha-chlorotriamcinolone Acetonide
CAS Number1181-32-4
PubChem CID171370853
IUPAC Name[2-[(1S,2S,4R,8S,9S,11S,12R,13S,19S)-19-chloro-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] acetate
Molecular FormulaC26H32ClFO7
Molecular Weight511.0
XLogP3.4
Topological Polar Surface Area99.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count35
Formal Charge0
Complexity1070
SMILES
CC(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(C[C@@H]([C@]4([C@H]3C[C@@H](C5=CC(=O)C=C[C@@]54C)Cl)F)O)C)OC(O2)(C)C
InChI
InChI=1S/C26H32ClFO7/c1-13(29)33-12-20(32)26-21(34-22(2,3)35-26)10-15-16-9-18(27)17-8-14(30)6-7-23(17,4)25(16,28)19(31)11-24(15,26)5/h6-8,15-16,18-19,21,31H,9-12H2,1-5H3/t15-,16-,18-,19-,21+,23-,24-,25-,26+/m0/s1
InChIKey
QKCQMVXAOYYSJU-IUGZLZTKSA-N
Chemical Structure
2D Structure
2D structure of 21-Acetyl-6alpha-chlorotriamcinolone Acetonide
CAS: 1181-32-4
CID: 171370853
Formula: C26H32ClFO7
MW: 511.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight511.0
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass510.1820592
Monoisotopic Mass510.1820592
Topological Polar Surface Area99.1 Ų
Heavy Atom Count35
Formal Charge0
Complexity1070
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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