BGC > Produktsuche > Aprepitant

Molecular Formula: C23H21F7N4O3
Molecular Weight: 534.4266624

Description:
Aprepitant is a specific NK-1R antagonist, used as an antiemetic agent.

• Molecular Weight:534.43
• Melting Point:242-250°C
• Purity:98%

Molecular Formula:
C23H21F7N4O3
Canonical SMILES:
CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC2C(N(CCO2)CC3=NNC(=O)N3)C4=CC=C(C=C4)F
InChI:
InChI=1S/C23H21F7N4O3/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)37-20-19(13-2-4-17(24)5-3-13)34(6-7-36-20)11-18-31-21(35)33-32-18/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H2,31,32,33,35)/t12-,19+,20-/m1/s1
InChIKey:
ATALOFNDEOCMKK-OITMNORJSA-N
Solubility:
soluble in DMSO, Methanol
Appearance:
White to Pale Beige Solid
Storage: Store at -20°C
Synonyms:
5-[[(2R,3S)-2-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one; Emend; L 754030; MK 0869; MK 869; ONO 7436