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Application Area
Environmental
Environmental

Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.

Clinical diagnostic
Clinical diagnostic

In addition to treating various diseases, isotopes are used for imaging, diagnosis, and newborn screening.

Organic Chemistry
Organic Chemistry

Small molecule compounds labeled with stable isotopes can be used as chemical reference for chemical identification, qualitative, quantitative, detection, etc. Various types of NMR solvents can be used to study the structure, reaction mechanism and reaction kinetics of compounds.

Metabolic Research
Metabolic Research

Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.

Lapaquistat-[d9] acetate

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General Information
Catalog: BLP-013777
CAS: 1292841-28-1
Molecular Formula: C33H32D9ClN2O9
Molecular Weight: 654.20
Chemical Structure
Lapaquistat-[d9] acetate
Description Lapaquistat-[d9] acetate is the labelled analogue of Lapaquistat acetate, which is a squalene synthase inhibitor.
Synonyms Lapaquistat-d9 acetate; 1-[2-[(3R,5S)-1-[3-(Acetyloxy)-2,2-dimethylpropyl]-7-chloro-5-(2,3-dimethoxyphenyl)-1,2,3,5-tetrahydro-2-oxo-4,1-benzoxazepin-3-yl]acetyl]-4-piperidineacetic Acid-d9; (3R-trans)-1-[[1-[3-(acetyloxy)-2,2-dimethylpropyl]-7-chloro-5-(2,3-dimethoxyphenyl)-1,2,3,5-tetrahydro-2-oxo-4,1-benzoxazepin-3-yl]acetyl]-4-piperidineacetic Acid-d9; TAK 475-d9
IUPAC Name 2-[1-[2-[(3R,5S)-1-(3-acetyloxy-2,2-dimethylpropyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]-2,2,3,3,4,5,5,6,6-nonadeuteriopiperidin-4-yl]acetic acid
Related CAS 189060-13-7 (unlabelled)
Canonical SMILES CC(=O)OCC(C)(C)CN1C2=C(C=C(C=C2)Cl)C(OC(C1=O)CC(=O)N3CCC(CC3)CC(=O)O)C4=C(C(=CC=C4)OC)OC
InChI InChI=1S/C33H41ClN2O9/c1-20(37)44-19-33(2,3)18-36-25-10-9-22(34)16-24(25)30(23-7-6-8-26(42-4)31(23)43-5)45-27(32(36)41)17-28(38)35-13-11-21(12-14-35)15-29(39)40/h6-10,16,21,27,30H,11-15,17-19H2,1-5H3,(H,39,40)/t27-,30-/m1/s1/i11D2,12D2,13D2,14D2,21D
InChI Key CMLUGNQVANVZHY-LUBFGMIQSA-N
Solubility Soluble in Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
Appearance White Solid
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