Predocol

Analyte Name

Prednisolone Sodium Metasulfobenzoate

CAS Number

630-67-1

Molecular Formula

C28 H31 O9 S . Na

Molecular Weight

566.60

Accurate Mass

566.1586

Flash Point

0

SMILES

[Na+].C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)c5cccc(c5)S(=O)(=O)[O-]

InChI

InChI=1S/C28H32O9S.Na/c1-26-10-8-18(29)13-17(26)6-7-20-21-9-11-28(33,27(21,2)14-22(30)24(20)26)23(31)15-37-25(32)16-4-3-5-19(12-16)38(34,35)36, /m0./s1, /h3-5,8,10,12-13,20-22,24,30,33H,6-7,9,11,14-15H2,1-2H3,(H,34,35,36), +1/p-1/t20-,21-,22-,24+,26-,27-,28-, /q

IUPAC

sodium;3-[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]carbonylbenzenesulfonate

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat

API Family

Prednisolone

Purity

>95% (HPLC)