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Fosaprepitant-[d4] Dimeglumine

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General Information
Catalog: BLP-005503
Molecular Formula: C37H52D4F7N6O16P
Molecular Weight: 1008.86

Chemical Structure

Ordering Information

Catalog Number	Size	Price	Stock	Quantity
BLP-005503	25 mg	$9990	In stock

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Description	Fosaprepitant-[d4] Dimeglumine is a labelled form of Fosaprepitant Dimeglumine, which has been found to be a selective neurokinin-1 (NK-1) receptor antagonist.
Synonyms	[3-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl-d4)-4-morpholinyl]methyl]-2,5-dihydro-5-oxo-1H-1,2,4-triazol-1-yl]phosphonate 1-Deoxy-1-(methylamino)-D-glucitol; Fosaprepitant D4 Dimeglumine; MK-0517-d4; L785298-d4
IUPAC Name	[3-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(2,3,5,6-tetradeuterio-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
Related CAS	265121-04-8 (unlabelled)
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
InChI	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;21-8-2-4(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);24-13H,2-3H2,1H3/t12-,19+,20-;2*4-,5+,6+,7+/m100/s1/i2D,3D,4D,5D;;
InChI Key	VRQHBYGYXDWZDL-FZRVXCFOSA-N
Storage	Store at -20°C