CAS No. 265121-04-8

Molecular Formula: C60H78F14N10O20P2
Molecular Weight: 1587.2414868

Category:Working Standards
Purity:98,00%

Description:
Fosaprepitant is a selective NK-1 receptor antahonist. It is a water-soluble phosphoryl prodrug for Aprepitant

• Molecular Weight: 1004.83
• Molecular Formula: C23H22F7N4O6P.2C7H17NO5

Purity: >98%

Canonical SMILES:
CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC2C(N(CCO2)CC3=NC(=O)N(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;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

InChIKey: VRQHBYGYXDWZDL-OOZCZQCLSA-N

• Melting Point: >74°C (dec.)
• Appearance: White Solid

Synonyms:
MK-0517; MK 0517; MK0517

More details are to be found on supplier website

Smile code:
OC[C@H]([C@H]([C@@H]([C@H](CNC)O)O)O)O.OC[C@H]([C@H]([C@@H]([C@H](CNC)O)O)O)O.O=C1NC(CN2[C@H]([C@H](OCC2)O[C@H](C)C3=CC(C(F)(F)F)=CC(C(F)(F)F)=C3)C4=CC=C(C=C4)F)=NN1P(O)(O)=O
MDL Number:
MFCD23102059
Purity :
98%
Available in stock:
25.499 g