Aprepitant CRS
Product Code
EPY0001825
CAS Number
Product Format
Neat
Molecular Formula
C23 H21 F7 N4 O3
Molecular Weight
534.43
API Family
AprepitantProduct Categories
Product Type
APIPrice and availability
Product Information
Product Data
Analyte Name
Aprepitant
CAS Number
170729-80-3
Molecular Formula
C23 H21 F7 N4 O3
Molecular Weight
534.43
Accurate Mass
534.1502
SMILES
C[C@@H](O[C@H]1OCCN(CC2=NNC(=O)N2)[C@H]1c3ccc(F)cc3)c4cc(cc(c4)C(F)(F)F)C(F)(F)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
IUPAC
3-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one
Storage & Transport Information
Storage Temperature
+5°C
Shipping Temperature
Room Temperature
Country of Origin
FRANCE
Product Attributes
Product Type
API
Product Format
Neat
API Family
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