ChemicalBook--->CAS DataBase List--->172822-29-6

172822-29-6

172822-29-6 Structure

172822-29-6 Structure
IdentificationBack Directory
[Name]

ent-Aprepitant
[CAS]

172822-29-6
[Synonyms]

Aprepitant B
ent-Aprepitant
Aprepitant USP RC B
Aprepitant Impurity 4
Aprepitant R C B (USP)
Aprepitant S,R,S isomer
Aprepitant EP Impurity D
Aripitant related substance B
Aprepitant Related CoMpound B
3-[[(2S,3R)-2-[(S)-1-[3,5-Bis(trifl
Aprepitant impurity 4/Aprepitant EP Impurity D/ent-Aprepitant
[2S-[2α(R*),3α]]-5-[[2-[1-[3,5-Bis(trifluoroMethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-Morpholinyl]Me
Aprepitant Related Compound B (3-[[(2S,3R)-2-[(S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fl (1041926)
5-(((2S,3R)-2-((S)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholino)methyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[[(2S,3R)-2-[(1S)-1-[3,5-Bis(trifluoroMethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-Morpholinyl]Methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one
3H-1,2,4-Triazol-3-one, 5-[[(2S,3R)-2-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-1,2-dihydro-
Aprepitant Related Compound B (10 mg) (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)
[Molecular Formula]

C23H21F7N4O3
[MDL Number]

MFCD23704634
[MOL File]

172822-29-6.mol
[Molecular Weight]

534.43
Chemical PropertiesBack Directory
[density ]

1.51±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C, protect from light
[pka]

8.06±0.20(Predicted)
[Appearance]

White to off-white Solid
[Major Application]

pharmaceutical (small molecule)
[InChIKey]

ATALOFNDEOCMKK-KNMUDHKVSA-N
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H413-H302
[Precautionary statements ]

P264-P270-P301+P312-P330-P501
[WGK Germany ]

WGK 3
[HS Code ]

2934990002
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

ent-Aprepitant (Aprepitant EP Impurity D) is the (S,R,S)-enantiomer of Aprepitant (A729800), an unwanted enantiomer of Aprepitant in bulk drug and formulation samples of Aprepitant.
[Uses]

The (S,R,S)-enantiomer of Aprepitant (A729800), an unwanted enantiomer of Aprepitant in bulk drug and formulation samples of Aprepitant.
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