Fosaprepitant dimeglumine 13C6

Chemical Name Fosaprepitant dimeglumine 13C6
Alternate Names Aprepitant Stable Isotopes, Stable Isotopes of Aprepitant
CAT No. CS-EK-01820
CAS Registry# 265121-04-8 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=NN(C(=O)N3)P(=O)(O)O)C4=CC=C(C=C4)F.CNCC(C(C(C(CO)O)O)O)O.CNCC(C(C(C(CO)O)O)O)O
InchIKey VRQHBYGYXDWZDL-OOZCZQCLSA-N
Inchl InChI=1S/C23H22F7N4O6P.2C7H17NO5/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)40-20-19(13-2-4-17(24)5-3-13)33(6-7-39-20)11-18-31-21(35)34(32-18)41(36,37)38;2*1-8-2-4(10)6(12)7(13)5(11)3-9/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H,31,32,35)(H2,36,37,38);2*4-13H,2-3H2,1H3/t12-,19+,20-;2*4-,5+,6+,7+/m100/s1
IUPAC [3-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-5-oxo-4H-1,2,4-triazol-1-yl]phosphonic acid;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
Controlled No
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[13C6]-Fosaprepitant dimeglumine is a chemical compound used in the treatment of chemotherapy-induced nausea and vomiting. It is a prodrug of aprepitant and is administered intravenously. The compound is a highly selective antagonist of the neurokinin-1 (NK1) receptor, which is responsible for the regulation of emesis. The addition of 13C6 to the chemical structure of fosaprepitant dimeglumine allows for better detection and quantification of the drug in biological samples. This is particularly useful in pharmacokinetic studies where the metabolism and elimination of the drug can be tracked. In terms of the chemical properties of [13C6]-Fosaprepitant dimeglumine, it is a water-soluble, crystalline powder with a molecular weight of 1002.21 g/mol. It is composed of 6 carbon atoms that have been labeled with the stable isotope 13C, which has a natural abundance of 1.1%. The dimeglumine salt form of the compound enhances its solubility and stability. Overall, [13C6]-Fosaprepitant dimeglumine is a valuable tool for pharmacokinetic studies and a promising treatment option for chemotherapy-induced nausea and vomiting.

Related Compounds

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

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