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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

Molecular Formula C56H79F3N2O3
Molecular Weight 885.2333
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:08:32 UTC 2023
Edited
by admin
on Sat Dec 16 15:08:32 UTC 2023
Record UNII
K4GU1BTZ13
Record Status Validated (UNII)
Record Version
  • Download
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 UTC 2023 , Edited by admin on Sat Dec 16 15:08:32 UTC 2023
PRIMARY
PUBCHEM
155491262
Created by admin on Sat Dec 16 15:08:32 UTC 2023 , Edited by admin on Sat Dec 16 15:08:32 UTC 2023
PRIMARY PUBCHEM
Related Record Type Details
PARENT -> METABOLITE