Fosaprepitant dimeglumine salt

Fosaprepitant dimeglumine salt (MK-0517) is a water-soluble phosphoryl prodrug for Aprepitant which is a NK1 antagonist.

Trivial name MK-0517
Catalog Number S3038
Molecular Formula C23H22F7N4O6P.2C7H17NO5
CAS# 265121-04-8
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;2*1-8-2-4(10)6(12)7(13)5(11)3-9/h2-5,8-1 0,12,19-20H,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
Inchi Key VRQHBYGYXDWZDL-OOZCZQCLSA-N
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
Size 100mg
Supplier Page http://www.selleckchem.com/products/fosaprepitant.html
Additional Information https://file.selleck.cn/downloads/struct/fosaprepitant-dimeglumine-salt-chemical-structure-s3038.gif