Aprepitant Impurity 1 Enantiomer HCl

Basic Information

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CAS Number

171482-05-6

Molecular Formula

C20H19ClF7NO2

Molecular Weight

473.82 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC2C(NCCO2)C3=CC=C(C=C3)F.Cl

InChI

InChI=1S/C20H18F7NO2.ClH/c1-11(13-8-14(19(22,23)24)10-15(9-13)20(25,26)27)30-18-17(28-6-7-29-18)12-2-4-16(21)5-3-12;/h2-5,8-11,17-18,28H,6-7H2,1H3;1H/t11-,17+,18-;/m1./s1

InChIKey

DWCCMKXSGCKMJF-YNXGUESPSA-N

LogP

6.049900000000004

Topological Polar Surface Area

30.49 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

526

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

(2R,3S)-2-{(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)morpholine--hydrogen chloride (1/1)
(2R,3S)-2-((R)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholine hydrochloride
(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine;hydrochloride
AKOS015995122
AKOS015999565
(2R,3S)-2-[(1R)-1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]ETHOXY]-3-(4-FLUOROPHENYL)MORPHOLINE HYDROCHLORIDE
(2R,3S)-2-((R)-1-(3,5-Bis(trifluoromethyl)phenyl)-ethoxy)-3-(4-fluorophenyl)morpholine hydrochloride
DTXSID10435824
(2R,3S)-2-((R)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholinehydrochloride
(2R,3S)-2-{(1R)-1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]ETHOXY}-3-(4-FLUOROPHENYL)MORPHOLINE HYDROCHLORIDE
AC-25506
J-500977
C20H19ClF7NO2
SCHEMBL14890138
AM84603
Morpholine,2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-,hydrochloride, (2R,3S)-
(2R,3S)-2-((R)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholine HCl
A850791
171482-05-6
CS-0158204
DS-17845
s10990
2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)Morpholine hydrochloride (1:1)
APREPITANT INTERMEDIATES
Aprepitant HCl
(2R,3S)-2-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine hydrochloride
Morpholine,2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-,hydrochloride...
Aprepitant Impurity 14
Aprepitant intermediate
Aprepitant M2 Matabolite
Aprepitant Stage-II (Impurity-A)

MDL Number

MFCD13183776

FAQ

What is Aprepitant Impurity 1 Enantiomer HCl (CAS: 171482-05-6)?

Aprepitant Impurity 1 Enantiomer HCl (CAS: 171482-05-6) is a stereoisomer of the drug aprepitant, used as an impurity in pharmaceutical analysis. It has the molecular formula C22H28N2O3·HCl and is characterized by its chiral structure, which may affect pharmacological activity. This compound is commonly identified during quality control processes to ensure drug purity and compliance with regulatory standards.

What are the main uses of Aprepitant Impurity 1 Enantiomer HCl (CAS: 171482-05-6)?

Aprepitant Impurity 1 Enantiomer HCl (CAS: 171482-05-6) is primarily used in pharmaceutical research and quality control to analyze the purity of aprepitant, an antidepressant. It also serves as a reference standard in drug development, regulatory testing, and impurity profiling. Its applications include ensuring safety and efficacy in pharmaceutical manufacturing and supporting analytical methods like HPLC and mass spectrometry.

Is Aprepitant Impurity 1 Enantiomer HCl (CAS: 171482-05-6) safe?

Aprepitant Impurity 1 Enantiomer HCl (CAS: 171482-05-6) is not intended for therapeutic use and is generally considered safe in controlled laboratory settings. However, handling precautions include wearing gloves and safety goggles to avoid skin or eye contact. It should be stored securely to prevent contamination, and safety standards follow guidelines for chemical impurity management in pharmaceutical production.

How should Aprepitant Impurity 1 Enantiomer HCl (CAS: 171482-05-6) be stored?

Aprepitant Impurity 1 Enantiomer HCl (CAS: 171482-05-6) should be stored in a cool, dry place, preferably at 2-8°C, in airtight containers to maintain stability. Avoid exposure to light and moisture, and ensure proper labeling to prevent mix-ups. Storage conditions must comply with pharmaceutical standards to preserve chemical integrity and safety during handling.