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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H26F3NO9
Molecular Weight 553.4811
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)BUTANOYLOXY)TETRAHYDROPYRAN-2-CARBOXYLIC ACID, (2S,3S,4S,5R,6S)-

SMILES

O[C@@H]1[C@@H](O)[C@H](OC(=O)CCCC2(C(=O)NCC(F)(F)F)C3=CC=CC=C3C4=C2C=CC=C4)O[C@@H]([C@H]1O)C(O)=O

InChI

InChIKey=LCAMEDGEERXORV-KHYDEXNFSA-N
InChI=1S/C26H26F3NO9/c27-26(28,29)12-30-24(37)25(15-8-3-1-6-13(15)14-7-2-4-9-16(14)25)11-5-10-17(31)38-23-20(34)18(32)19(33)21(39-23)22(35)36/h1-4,6-9,18-21,23,32-34H,5,10-12H2,(H,30,37)(H,35,36)/t18-,19-,20+,21-,23+/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H26F3NO9
Molecular Weight 553.4811
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 22:08:38 UTC 2019
Edited
by admin
on Mon Oct 21 22:08:38 UTC 2019
Record UNII
AKK3AB9GSJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,4,5-TRIHYDROXY-6-(4-(9-(2,2,2-TRIFLUOROETHYLCARBAMOYL)FLUOREN-9-YL)BUTANOYLOXY)TETRAHYDROPYRAN-2-CARBOXYLIC ACID, (2S,3S,4S,5R,6S)-
Systematic Name English
LOMITAPIDE METABOLITE M18
Common Name English
(2S,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-(4-(9-(2,2,2-TRIFLUOROETHYLCARBAMOYL)FLUOREN-9-YL)BUTANOYLOXY)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, M18 was the prominent metabolite, which accounted for 3.77% of the dose in the 0 €“ 96 hours urine samples.
PLASMA; URINE