Cinacalcet N-Oxide
Basic information
- CAS
1229224-94-5- Standard SMILES
C[C@H](c1cccc2ccccc12)N(O)CCCc1cccc(C(F)(F)F)c1- InChIKey
NNDFTKSSGCGZLY-MRXNPFEDSA-N- Molecular formula
- C22H22F3NO
- Average molar mass
- 373.4 g/mol
- Monoisotopic mass
- 373.16534881
Names & identifiers
- Preferred name
- Cinacalcet N-Oxide
- IUPAC
- N-[(1R)-1-naphthalen-1-ylethyl]-N-[3-[3-(trifluoromethyl)phenyl]propyl]hydroxylamine
- English name
- (αR)-α-Methyl-N-[3-[3-(trifluoroMethyl)phenyl)propyl]-1-napthaleneMethanaMine-N-oxide
- Molecular formula
- C22H22F3NO
- Molecular weight
- 373.41
Names & synonyms
Cinacalcet N-Oxide1229224-94-5(R)-N-(1-(Naphthalen-1-yl)ethyl)-N-(3-(3-(trifluoromethyl)phenyl)propyl)hydroxylamineN-[(1R)-1-(NAPHTHALEN-1-YL)ETHYL]-N-{3-[3-(TRIFLUOROMETHYL)PHENYL]PROPYL}HYDROXYLAMINEMFCD25977375N-[(1R)-1-naphthalen-1-ylethyl]-N-[3-[3-(trifluoromethyl)phenyl]propyl]hydroxylamine(alphaR)-N-Hydroxy-alpha-methyl-N-[3-[3-(trifluoromethyl)phenyl]propyl]-1-naphthalenemethanamineC22H22F3NOCinacalcetN-OxideCinakase impurity 1Cinacalcet HydroxylamineCinacalcet N-Oxide Impurity
Show more names
Cinakase impurities 1Cinacalcet Impurity 91Cinacalcet oxide impurityCicalcetN-OxideImpurityHClCinacalcet Hydrochloride iMpuritP
64HXR2WYU5orb3181377SCHEMBL7912988Cinacalcet N-Oxide Impurity HClCinacalcet Impurity 11(N-Oxide)DTXSID401124033CS-M2276AKOS037647707
Database identifiers
- CAS
1229224-94-5- PubChem CID
- 78358349
- DTXSID
DTXSID401124033- UNII
- 64HXR2WYU5
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 455
Physicochemical properties
- Boiling point
- 487.9 · 487.9±45.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- storage temp.
- -20 °C, · -20°C, stored under nitrogen
- pka
- 13.05 · 13.05±0.69(Predicted)
- Appearance
- Colorless to light yellow Liquid
- HS Code
- 29214990 · 29214990
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 29214990
Chemistry & industry
Applications
UsesCinacalcet N-Oxide is the N-Oxide impurity of Cinacalcet (C441800).
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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