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Defluoro Aprepitant

Defluoro Aprepitant structure

CAS No:
170729-76-7
Formula:
C23H22F6N4O3
Chemical Name:
Defluoro Aprepitant
Synonyms:
Defluoro Aprepitant;5-[[(2R,3S)-2-[(1R)-1-[3,5-Bis(trifluoroMethyl)phenyl]ethoxy]-3-phenyl-4-Morpholinyl]Methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one;Aprepitant EP Impurity A;Aprepitant desfluoro;Aprepitant Impurity 8
Categories:
Active Pharmaceutical Ingredients > Antineoplastic Agents

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Defluoro Aprepitant Basic Attributes

Molecular Weight：

516.4361992

Exact Mass：

516.16

UNII：

I8ZN5S5LTS

DSSTox ID：

DTXSID20437718

HScode：

2934990002

Characteristics

PSA：

75.2

XLogP3：

4.1

Density：

1.47±0.1 g/cm3(Predicted)

Defluoro Aprepitant Use and Manufacturing

NK-1 receptor antagonists for treating severe anxiety disorders. Antidepressant

Computed Properties

Molecular Weight:516.4
XLogP3:4.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:6
Exact Mass:516.15960955
Monoisotopic Mass:516.15960955
Topological Polar Surface Area:75.2
Heavy Atom Count:36
Complexity:780
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 170729-76-7

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CAS No.: 170729-76-7

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