11beta,17-dihydroxypregn-4-ene-3,20-dione 21-[(1-benzyl-1H-indazol-3-yl)oxy]acetate

Molecule structure of Bendacort (CAS NO.53716-43-1):

IUPAC Name: [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,
16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl]2-(1-benzylindazol-3-yl)oxyacetate 
Molecular Weight: 626.73858 g/mol
Molecular Formula: C₃₇H₄₂N₂O₇ 
Density: 1.37 g/cm³ 
Boiling Point: 813.7 °C at 760 mmHg 
Flash Point: 445.9 °C
Index of Refraction: 1.669
Molar Refractivity: 170.5 cm³
Molar Volume: 456.5 cm³
Polarizability: 67.59×10^-24 cm³
Surface Tension: 56 dyne/cm 
Enthalpy of Vaporization: 124.01 kJ/mol
Vapour Pressure: 5.47E-28 mmHg at 25 °C
XLogP3: 5.6
H-Bond Donor: 2
H-Bond Acceptor: 8
Rotatable Bond Count: 9
Tautomer Count: 10
Exact Mass: 626.299202
MonoIsotopic Mass: 626.299202
Topological Polar Surface Area: 128
Heavy Atom Count: 46
Complexity: 1230
Defined Atom StereoCenter Count: 7
Canonical SMILES: CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)COC(=O)COC5=NN(C6=CC=CC=C65)CC7=
CC=CC=C7)O)C)O
Isomeric SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)COC(=O)COC5=NN(C6=CC=CC=C65)CC7=CC=CC=C7)O)C)O
InChI: InChI=1S/C37H42N2O7/c1-35-16-14-25(40)18-24(35)12-13-26-28-15-17-37(44,36(28,2)19-30(41)33(26)35)31(42)21-45-32(43)22-46-34-27-10-6-7-11-29(27)39(38-34)20-23-8-4-3-5-9-23/h3-11,18,26,28,30,33,41,44H,12-17,19-22H2,1-2H3/t26-,28-,30-,33+,35-,36-,37-/m0/s1
InChIKey: DYVIEGCPUPGXOH-HGGPGNIHSA-N
EINECS: 258-710-3

An experimental teratogen. When heated to decomposition it emits toxic fumes of NO_x.

 Bendacort (CAS NO.53716-43-1) is also called AF 2071 ; 11,17-Dihydroxy-21-(((1-(phenylmethyl)-1H-indazol-3-
yloxy)acetyl)oxy)pregn-4-ene-3,20-dione ; 11beta,17-Dihydroxypregn-4-ene-3,20-dione 21-((1-benzyl-1H-indazol-3-yl)oxy)acetate ; Pregn-4-ene-3,20-dione, 11-beta,17-dihydroxy-21-((((1-phenylmethyl)-1H-indazol-3-yl)oxy)acetyloxy)- . Bendacort (CAS NO.53716-43-1) is toxic. It is flammable. It will produce toxic nitrogen oxide fumes when buring. So the storage environment should be ventilate, low-temperature and dry.