prednisolone sodium tetrahydrophtalate (Q27288777)

Prednisolone sodium tetrahydrophthalate (English)

14 October 2016

chemical formula

C₂₉H₃₅NaO₈

1 reference

Prednisolone sodium tetrahydrophthalate (English)

14 October 2016

canonical SMILES

CC12CC(C3C(C1CCC2(C(=O)COC(=O)C4CC=CCC4C(=O)[O-])O)CCC5=CC(=O)C=CC35C)O.[Na+]

1 reference

Prednisolone sodium tetrahydrophthalate (English)

14 October 2016

isomeric SMILES

C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)COC(=O)C4CC=CCC4C(=O)[O-])O)CCC5=CC(=O)C=C[C@]35C)O.[Na+]

1 reference

Prednisolone sodium tetrahydrophthalate (English)

InChI=1S/C29H36O8.Na/c1-27-11-9-17(30)13-16(27)7-8-20-21-10-12-29(36,28(21,2)14-22(31)24(20)27)23(32)15-37-26(35)19-6-4-3-5-18(19)25(33)34;/h3-4,9,11,13,18-22,24,31,36H,5-8,10,12,14-15H2,1-2H3,(H,33,34);/q;+1/p-1/t18?,19?,20-,21-,22-,24+,27-,28-,29-;/m0./s1

14 October 2016

Identifiers

InChI

1 reference

Prednisolone sodium tetrahydrophthalate (English)

LJZITGOQTCTZFY-NJOYYUEASA-M

14 October 2016

InChIKey

1 reference

Global Substance Registration System

Prednisolone sodium tetrahydrophthalate (English)

14 October 2016

1 reference

UNII

S7G90C1P6W

prednisolone sodium tetrahydrophtalate (English)

14 October 2016

1 reference

Sodium 6-({[(11beta)-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl]oxy}carbonyl)-3-cyclohexene-1-carboxylate (English)

14 October 2016

2 references

Prednisolone sodium tetrahydrophthalate (English)

matched by identifier from

14 October 2016

InChIKey

LJZITGOQTCTZFY-NJOYYUEASA-M

1 reference

2 references

Global Substance Registration System

UNII

S7G90C1P6W

prednisolone sodium tetrahydrophtalate (English)