[13C6]-Aprepitant

Product Name [13C6]-Aprepitant
Alternate Names Aprepitant Stable Isotopes, Stable Isotopes of Aprepitant
CAT No. CS-EK-01190
CAS No. 170729-80-3 unlabeled
Category Stable Isotopes
Stock Enquire
Mol. Wt. Not Available
Mol. For. Not Available
Hazardous This is not a Hazardous Compound
COA View Sample COA
MSDS View Sample MSDS
Parent API Aprepitant
Canonical Smiles CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC2C(N(CCO2)CC3=NNC(=O)N3)C4=CC=C(C=C4)F
InchIKey ATALOFNDEOCMKK-OITMNORJSA-N
Inchl InChI=1S/C23H21F7N4O3/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)37-20-19(13-2-4-17(24)5-3-13)34(6-7-36-20)11-18-31-21(35)33-32-18/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H2,31,32,33,35)/t12-,19+,20-/m1/s1
IUPAC 3-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one
Controlled No
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[13C6]-Aprepitant is a chemical compound that is primarily used in medical research and drug development. It is a stable isotope-labeled version of Aprepitant, a medication used to prevent nausea and vomiting caused by chemotherapy. The stable isotope-labeled version is used as an internal standard in pharmacokinetic studies to determine the concentration of Aprepitant in biological samples. The chemical name of [13C6]-Aprepitant is (2R,3S)-N-((1S)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)-2-(3-oxo-1,2,3,4-tetrahydroquinazolin-2-yl)butanamide, and its molecular formula is C23H21F7N4O3. The compound is a white to off-white powder that is soluble in water, ethanol, and dimethyl sulfoxide. [13C6]-Aprepitant is a useful chemical tool in the field of drug development, as it allows researchers to accurately measure the pharmacokinetics of Aprepitant in the body. It is also used in research to study the metabolism and elimination of Aprepitant, which can help in the development of more effective and safer drugs for chemotherapy-induced nausea and vomiting. Overall, [13C6]-Aprepitant is an important compound in medical research and drug development, and its stable isotope labeling makes it a valuable tool for studying the pharmacokinetics and metabolism of Aprepitant.

Related Compounds

Aprepitant-13C2,d2 (Major) | Aprepitant intermediate D4 | Aprepitant D4 | Fosaprepitant D4 | Aprepitant benzyl intermediate D4 | rac-Aprepitant-D4 | Fosaprepitant dimeglumine 13C6 | Fosaprepitant D4 Dimeglumine |

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