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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H28F3NO8
Molecular Weight 539.4976
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,4,5-TRIHYDROXY-6-(4-(9-(2,2,2-TRIFLUOROETHYLCARBAMOYL)FLUOREN-9-YL)BUTOXY)TETRAHYDROPYRAN-2-CARBOXYLIC ACID, (2S,3S,4S,5R,6R)-

SMILES

O[C@@H]1[C@@H](O)[C@H](OCCCCC2(C(=O)NCC(F)(F)F)C3=CC=CC=C3C4=C2C=CC=C4)O[C@@H]([C@H]1O)C(O)=O

InChI

InChIKey=JZVNHFPXRVERIK-KHYDEXNFSA-N
InChI=1S/C26H28F3NO8/c27-26(28,29)13-30-24(36)25(16-9-3-1-7-14(16)15-8-2-4-10-17(15)25)11-5-6-12-37-23-20(33)18(31)19(32)21(38-23)22(34)35/h1-4,7-10,18-21,23,31-33H,5-6,11-13H2,(H,30,36)(H,34,35)/t18-,19-,20+,21-,23+/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H28F3NO8
Molecular Weight 539.4976
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Oct 21 22:08:37 UTC 2019
Edited
by admin
on Mon Oct 21 22:08:37 UTC 2019
Record UNII
10PU289HG0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,4,5-TRIHYDROXY-6-(4-(9-(2,2,2-TRIFLUOROETHYLCARBAMOYL)FLUOREN-9-YL)BUTOXY)TETRAHYDROPYRAN-2-CARBOXYLIC ACID, (2S,3S,4S,5R,6R)-
Common Name English
LOMITAPIDE METABOLITE M10
Common Name English
(2S,3S,4S,5R,6R)-3,4,5-TRIHYDROXY-6-(4-(9-(2,2,2-TRIFLUOROETHYLCARBAMOYL)FLUOREN-9-YL)BUTOXY)TETRAHYDROPYRAN-2-CARBOXYLIC ACID
Systematic Name English
Related Record Type Details
PARENT -> METABOLITE
In plasma, M10+M18 accounted for 9.67% (combined) of the total radioactivity in 0 €“ 24 hours plasma samples. In urine, M10 was the minor metabolite, which accounted for 0.33% of the dose in the 0 €“ 96 hours urine samples.
PLASMA; URINE