Ingenol disoxate

Name: Ingenol disoxate
CAS#: 1383547-60-1
Chemical Formula: C28H37NO7
Exact Mass: 499.257
Molecular Weight: 499.6
Elemental Analysis: C, 67.31; H, 7.47; N, 2.80; O, 22.42

Description: Ingenol disoxate, also known as LEO43204, is a Novel 4-Isoxazolecarboxylate Ester of Ingenol with Improved Properties for Treatment of Actinic Keratosis and Other Non-Melanoma Skin Cancers. Ingenol is a natural product found in the sap of the plant Euphorbia peplus and an inducer of cell death.

IUPAC/Chemical Name: (1aR,2S,5R,5aS,6S,8aS,9R,10aR)-5,5a-dihydroxy-4-(hydroxymethyl)-1,1,7,9-tetramethyl-11-oxo-1a,2,5,5a,6,9,10,10a-octahydro-1H-2,8a-methanocyclopenta[a]cyclopropa[e][10]annulen-6-yl 3,5-diethylisoxazole-4-carboxylate

InChi Key: GLIUZQUNUNICGS-XUBYYPQFSA-N

InChi Code: InChI=1S/C28H37NO7/c1-7-18-20(19(8-2)36-29-18)25(33)35-24-13(3)11-27-14(4)9-17-21(26(17,5)6)16(23(27)32)10-15(12-30)22(31)28(24,27)34/h10-11,14,16-17,21-22,24,30-31,34H,7-9,12H2,1-6H3/t14-,16+,17-,21+,22-,24+,27+,28+/m1/s1

SMILES Code: [H][C@]1(C[C@H]2C)C(C)([C@@]([C@@](C([C@]23C=C([C@@H]([C@@]43O)OC(C5=C(CC)ON=C5CC)=O)C)=O)(C=C([C@H]4O)CO)[H])1[H])C

Appearance: Solid powder