Fosaprepitant D4 Dimeglumine

Product Name Fosaprepitant D4 Dimeglumine
Alternate Names Aprepitant Stable Isotopes, Stable Isotopes of Aprepitant
CAT No. CS-O-06636
CAS No. 265121-04-8(Unlabeled)
Category Stable Isotopes
Stock Enquire
Mol. Wt. 1008.86 g/mol
Mol. For. C37H52D4F7N6O16P
Hazardous This is not a Hazardous Compound
COA View Sample COA
MSDS View Sample MSDS
Parent API Aprepitant
Therapeutic Anti-Cancer / Oncology
Smileys O[C@H]([C@@H](O)CNC)[C@H](O)[C@H](O)CO.O=C1NC(CN(CCO2)[C@@H](C3=C([2H])C([2H])=C(F)C([2H])=C3[2H])[C@H]2O[C@@H](C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)C)=NN1[P](O)(O)=O.O[C@H]([C@@H](O)CNC)[C@H](O)[C@H](O)CO
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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Related Compounds

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

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