Fosaprepitant Impurity 3

CAT No.

ALN-F017021

CAS No.

1523569-90-5

Mol. F.

C23H22F7N4O6P : 1/2(C7H17NO5)

Mol. Wt.

614.4 : 1/2(195.2)

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Product Overview

Technical Data

Reference

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Product Overview

Chemical Name : (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentaol (3-(((2R,3R)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholino)methyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)phosphonate

Smiles : O[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)CNC.FC1=CC=C([C@H]2N(CC3=NN(P(O)(O)=O)C(N3)=O)CCO[C@@H]2O[C@@H](C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)C)C=C1

Inchi : InChI=1S/C23H22F7N4O6P.C7H17NO5/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;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);4-13H,2-3H2,1H3/t12-,19-,20+;4-,5+,6+,7+/m00/s1

Technical Data

Reference

By Reddy, H. Ramakrishna; Pratap, S. R.; Chandrasekhar, N.; Shamshuddin, S. Z. M.nFrom Asian Journal of Chemistry (2021), 33(7), 1645-1650

By Kishore, M. V.; Sivarao, T.; Srinivas, K. Rama; Satyendranath, Ch. V.; Kumar, Vundavilli Jagadeesh; Kumar, K. S. R. Pavan; Sreenivas, N. – From International Journal of Pharmaceutical Sciences and Research (2020), 11(10), 5010-5016

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