Aprepitant-13C2,d2 (Major)

Product Name Aprepitant-13C2,d2 (Major)
Alternate Names Aprepitant Stable Isotopes, Stable Isotopes of Aprepitant
CAT No. CS-T-66214
CAS No. 1217676-37-3
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
Smileys O=[13C]1N([2H])N([2H])[13C](CN2[C@@H](C3=CC=C(F)C=C3)[C@@H](O[C@@H](C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)C)OCC2)=N1
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-IPWSJXMKSA-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/i1D,11+1,12D,18+1
IUPAC 3-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]-1,2-dideuterioethoxy]-3-(4-fluorophenyl)morpholin-4-yl](113C)methyl]-(313C)1,4-dihydro-1,2,4-triazol-5-one
Controlled No
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Aprepitant-13C2,d2 (Major) is a labeled compound used primarily for research purposes. It is a derivative of Aprepitant, a drug used to prevent nausea and vomiting caused by chemotherapy, radiation therapy, and surgery. The labeling of the compound with isotopes of carbon and deuterium makes it useful for analytical and pharmacokinetic studies. The chemical formula of Aprepitant-13C2,d2 (Major) is C23H21D2F6N4O3, and its molecular weight is 505.45 g/mol. It is a white to off-white powder that is soluble in dimethyl sulfoxide, methanol, and acetonitrile. The compound is stable under normal conditions, but it should be kept away from moisture and light. In terms of usage, Aprepitant-13C2,d2 (Major) is used primarily as a tracer or reference compound in pharmacokinetic studies. It is also used in metabolic studies to determine the fate of the drug in the body. Additionally, it may be used in the development of analytical methods for the detection and quantification of Aprepitant and related compounds. In conclusion, Aprepitant-13C2,d2 (Major) is an important tool for researchers in the field of pharmacology. Its unique labeling makes it useful in a variety of studies, and its chemical properties make it stable and easy to work with. While it is not used clinically, its role in research may ultimately lead to new and improved treatments for patients suffering from nausea and vomiting.

Related Compounds

rac-Aprepitant-D4 | Aprepitant benzyl intermediate D4 | Aprepitant D4 | Fosaprepitant dimeglumine 13C6 | Aprepitant intermediate D4 | Fosaprepitant D4 Dimeglumine | Fosaprepitant D4 |

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