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Fosaprepitant

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Fosaprepitant / CAS : 172673-20-0

Appearance solid UN -
HS 29349990 DG Class -
Synonyms [3-{[(2R,3S)-2-[(1R)-1-[3,5-Bis(Trifluoromethyl)Phenyl]Ethoxy]-3-(4-Fluorophenyl)Morpholin-4-Yl]Methyl}-5-Oxo- 2H-1,2,4-Triazol-1-Yl]Phosphonic Acid; Phosphonic Acid, [3-[[2-[1-[3,5-Bis(Trifluoromethyl)Phenyl]Ethoxy]-3-(4-Fluorophenyl)-4-Morpholinyl]Methyl]-2,5-Dihydro-5-Oxo-1H-1,2,4-Triazol-1-Yl]-, [2R-[2α(R*),3α]]-; Unii-6L8Of9Xrdc; Ivemend®; Phosphonic Acid, [3-[[(2R,3S)-2-[(1R)-1-[3,5-Bis(Trifluoromethyl)Phenyl]Ethoxy]-3-(4-Fluorophenyl)-4-Morpholinyl]Methyl]-2,5-Dihydro-5-Oxo-1H-1,2,4-Triazol-1-Yl]- (9Ci); [5-[[(2R,3S)-2-[(1R)-1-[3,5-Bis(Trifluoromethyl)Phenyl]Ethoxy]-3-(4-Fluorophenyl)Morpholin-4-Yl]Methyl]-3-Oxo-1H-1,2,4-Triazol-2-Yl]Phosphonic Acid; L 758298; L-758,298; P-[3-[[(2R,3S)-2-[(1R)-1-[3,5-Bis(Trifluoromethyl)Phenyl]Ethoxy]-3-(4-Fluorophenyl)-4-Morpholinyl]Methyl]-2,5-Dihydro-5-Oxo-1H-1,2,4-Triazol-1-Yl]Phosphonic Acid; Phosphonic Acid, P-[3-[[(2R,3S)-2-[(1R)-1-[3,5-Bis(Trifluoromethyl)Phenyl]Ethoxy]-3-(4-Fluorophenyl)-4-Morpholinyl]Methyl]-2,5-Dihydro-5-Oxo-1H-1,2,4-Triazol-1-Yl]-; Emend® (For Injection)
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Properties

Summary

Formula
C23H22F7N4O6P
Molecular Mass
614.40700
Exact Mass
614.11700
PSA
139.72000
Logp
4.30420
IUPAC
[3-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-5-oxo-4H-1,2,4-triazol-1-yl]phosphonic acid
SMILES
C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](N(CCO2)CC3=NN(C(=O)N3)P(=O)(O)O)C4=CC=C(C=C4)F

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Raw Materials
API & Intermediate > Pharmaceutical Intermediates

Chemical and Physical Properties

Density
1.65 g/cm3
Boiling Point
588.9ºC
Flash Point
310ºC
Appearance
solid
Acidity and Basicity
acidness

Export information

HS Code
29349990
Export Rebate
10%

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