CS-0513995

3-(((2S,3R)-2-((S)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholino)methyl)-1H-1,2,4-triazol-5(4H)-one Aprepitant Impurity

Manufacturer: ChemScene

CAS Number: 172822-29-6

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Purity

98%

MDL No

None

Storage

4°C, protect from light

Shipping

Room temperature in continental US; may vary elsewhere.

Molecular Formula

C₂₃H₂₁F₇N₄O₃

Molecular Weight

534.43

Synonyms

ent-Aprepitant

SMILES

C[C@@H](C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)O[C@H](OCC2)[C@](C3=CC=C(C=C3)F)([H])N2CC4=NNC(N4)=O

Tpsa

83.24

Logp

4.9521

H Acceptors

5

H Donors

2

Rotatable Bonds

6

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SAFETY INFORMATION

Pictograms

GHS07

Signal Word

Warning

UN Number

N/A

Class

N/A

Packing Group

N/A

Hazard Statements

H302-H413

Precautionary Statements

P264-P270-P273-P330-P501