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triamcinolone

triamcinolone

CAS: 124-94-7

Formula: C21H27FO6

SMILES: [H][C@@]12C[C@@H](O)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C

IUPAC: (1S,2R,3aS,3bS,9aS,9bR,10S,11aS)-9b-fluoro-1,2,10-trihydroxy-1-(2-hydroxyacetyl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one

InChI: InChI=1S/C21H27FO6/c1-18-6-5-12(24)7-11(18)3-4-13-14-8-15(25)21(28,17(27)10-23)19(14,2)9-16(26)20(13,18)22/h5-7,13-16,23,25-26,28H,3-4,8-10H2,1-2H3/t13-,14-,15-,16-,18-,19-,20-,21-/m1/s1

Composition: C (63.95%), H (6.90%), F (4.82%), O (24.34%)

Molar Mass: 394.439

Atom Count: 55

Heavy Atom Count: 28

Properties
Properties
Common Names aristocort; celeste; fluoxiprednisolone; fluoxyprednisolone; kenalog; tiamcinolonum; triamcinalone; triamcinolona [inn-spanish]; triamcinolone; triamcinolonum
Aromatic Ring Count 0
Asymmetric Atom Count 8
Exact Mass 394.179166752
Formal Charge 0
FSP3 0.71
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 4
InChIKey GFNANZIMVAIWHM-OBYCQNJPSA-N
Lipinski's Rule of Five 1
Molar Refractivity 99.38
Topological Polar Surface Area 115.06
Polarizability 38.46
Ring Count 4
Rotatable Bond Count 2

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