(Q27258123)

CICLOXOLONE SODIUM (English)

14 October 2016

chemical formula

C₃₈H₅₄Na₃O₇⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC1(C2CCC3(C(C2(CCC1OC(=O)C4CCCCC4C(=O)[O-])C)C(=O)C=C5C3(CCC6(C5CC(CC6)(C)C(=O)[O-])C)C)C)C.[Na+].[Na+].[Na+]

1 reference

CICLOXOLONE SODIUM (English)

14 October 2016

isomeric SMILES

C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)C6CCCCC6C(=O)[O-])C)(C)C(=O)[O-].[Na+].[Na+].[Na+]

1 reference

CICLOXOLONE SODIUM (English)

InChI=1S/C38H56O7.3Na/c1-33(2)27-12-15-38(7)29(36(27,5)14-13-28(33)45-31(42)23-11-9-8-10-22(23)30(40)41)26(39)20-24-25-21-35(4,32(43)44)17-16-34(25,3)18-19-37(24,38)6;;;/h20,22-23,25,27-29H,8-19,21H2,1-7H3,(H,40,41)(H,43,44);;;/q;3*+1/p-2/t22?,23?,25-,27-,28-,29+,34+,35-,36-,37+,38+;;;/m0.../s1

14 October 2016

Identifiers

InChI

1 reference

CICLOXOLONE SODIUM (English)

YWHBTCAXYRPEKD-IVZDVHJXSA-L

14 October 2016

InChIKey

1 reference

Global Substance Registration System

CICLOXOLONE SODIUM (English)

14 October 2016

1 reference

UNII

3W80D7J7L2

cicloxolone sodium (English)

14 October 2016

1 reference

Olean-12-en-30-oate, 3-[[(2-carboxylatocyclohexyl)carbonyl]oxy]-11-oxo-, (3beta)-, sodium salt (1:3) (English)

14 October 2016

1 reference

Global Substance Registration System

CICLOXOLONE SODIUM (English)

14 October 2016

1 reference

1 reference

UNII

3W80D7J7L2

cicloxolone sodium (English)