Predocol

Product Specifications

CAS Number

630-67-1

Synonyms

ATL 2502; Cortico-Sol; Predenema; Predfoam; Prednisolone 21-m-sulfobenzoate sodium; Prednisolone 21-m-sulfobenzoate sodium salt; Prednisolone metasulfobenzoate sodium; Prednisolone sodium metasulfobenzoate; Prednisolone sodium metazoate; Predocol; Pregna-1,4-diene-3,20-dione, 11,17-dihydroxy-21-[(3-sulfobenzoyl)oxy]-, sodium salt (1:1), (11beta)-; Pregna-1,4-diene-3,20-dione, 11,17-dihydroxy-21-[(3-sulfobenzoyl)oxy]-, monosodium salt, (11beta)- (9CI); Pregna-1,4-diene-3,20-dione, 11beta,17,21-trihydroxy-, 21-(m-sulfobenzoate), monosodium salt (8CI); Pregna-1,4-diene-3,20-dione, 11beta,17,21-trihydroxy-, 21-m-sulfobenzoate, sodium salt (7CI); Benzoic acid, m-sulfo-, 21-ester with 11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione, monosodium salt (8CI)

Hazard Statement

Suspected of damaging fertility or the unborn child

Purity

>95% (HPLC)

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-]

Molecular Formula

C28 H31 O9 S . Na

Molecular Weight

566.6

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;/h3-5,8,10,12-13,20-22,24,30,33H,6-7,9,11,14-15H2,1-2H3,(H,34,35,36);/q;+1/p-1/t20-,21-,22-,24+,26-,27-,28-;/m0./s1

Additionnal Information

IUPAC name: 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