3,4,5-TRIHYDROXY-6-(4-(9-(2,2,2-TRIFLUOROETHYLCARBAMOYL)FLUOREN-9-YL)BUTANOYLOXY)TETRAHYDROPYRAN-2-CARBOXYLIC ACID, (2S,3S,4S,5R,6S)-

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)-

Structure Search

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	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 05:08:45 GMT 2025` Edited by `admin` on `Wed Apr 02 05:08:45 GMT 2025`
Record UNII	AKK3AB9GSJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LOMITAPIDE METABOLITE M18

Preferred Name

English

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

(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

Code System Code Type Description

PUBCHEM

138454974

Created by admin on Wed Apr 02 05:08:45 GMT 2025 , Edited by admin on Wed Apr 02 05:08:45 GMT 2025

PRIMARY

FDA UNII

AKK3AB9GSJ

Created by admin on Wed Apr 02 05:08:45 GMT 2025 , Edited by admin on Wed Apr 02 05:08:45 GMT 2025

PRIMARY

Related Record Type Details


					82KUB0583F

LOMITAPIDE

PARENT -> METABOLITE

Comments:

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.

Qualification:

PLASMA; URINE