Pregn-4-ene-3,20-dione,11,17-dihydroxy-21-(phosphonooxy)-, sodium salt (1:2), (11b)- (6000-74-4)

The Hydrocortisone sodium phosphate with the CAS number 6000-74-4 is also called Pregn-4-ene-3,20-dione,11,17-dihydroxy-21-(phosphonooxy)-, sodium salt (1:2), (11b)-. The IUPAC name is disodium[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] phosphate. Its molecular formula is C₂₁H₂₉Na₂O₈P. The EINECS registry number is 227-843-9. The product category is Steroids.

The properties of the Hydrocortisone sodium phosphate are: (1)ACD/LogP: 0.21; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 8; (4)#H bond donors: 4; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 129.17 Å²; (7)Flash Point: 358.9 °C; (8)Enthalpy of Vaporization: 112.65 kJ/mol; (9)Boiling Point: 669.9 °C at 760 mmHg; (10)Vapour Pressure: 8.28×10^-21 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[Na+].[O-]P([O-])(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@H]4[C@H]([C@@H](O)C[C@]12C)[C@@]3(/C(=C\C(=O)CC3)CC4)C
(2)InChI: InChI=1/C21H31O8P.2Na/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19;;/h9,14-16,18,23,25H,3-8,10-11H2,1-2H3,(H2,26,27,28);;/q;2*+1/p-2/t14-,15-,16-,18+,19-,20-,21-;;/m0../s1
(3)InChIKey: RYJIRNNXCHOUTQ-OZTLNCELBF

The toxicity data is as follows: