U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C56H79F3N2O3
Molecular Weight 885.2333
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CHOLESTERYL SIPONIMOD

SMILES

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)C5CN(CC6=CC=C(C=C6CC)C(\C)=N\OCC7=CC=C(C8CCCCC8)C(=C7)C(F)(F)F)C5)[C@H](C)CCCC(C)C

InChI

InChIKey=UXKNUTNUOPQVRZ-XZJNQQAKSA-N
InChI=1S/C56H79F3N2O3/c1-8-40-30-42(38(5)60-63-35-39-17-21-47(41-15-10-9-11-16-41)52(29-39)56(57,58)59)18-19-43(40)32-61-33-44(34-61)53(62)64-46-25-27-54(6)45(31-46)20-22-48-50-24-23-49(37(4)14-12-13-36(2)3)55(50,7)28-26-51(48)54/h17-21,29-30,36-37,41,44,46,48-51H,8-16,22-28,31-35H2,1-7H3/b60-38+/t37-,46+,48+,49-,50+,51+,54+,55-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
CHOLESTERYL SIPONIMOD
Common Name English
CHOLESTEROL ESTER OF SIPONIMOD
Common Name English
SIPONIMOD METABOLITE M17
Common Name English
Code System Code Type Description
FDA UNII
K4GU1BTZ13
Created by admin on Sat Dec 16 15:08:32 GMT 2023 , Edited by admin on Sat Dec 16 15:08:32 GMT 2023
PRIMARY
PUBCHEM
155491262
Created by admin on Sat Dec 16 15:08:32 GMT 2023 , Edited by admin on Sat Dec 16 15:08:32 GMT 2023
PRIMARY PUBCHEM