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(S) -Cinacalcet hydrochloride

CAT: 0013-GTR19280805-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19280805-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
(S) -Cinacalcet hydrochloride is an impurity found in pharmaceutical formulations.
CAS Number
1217809-88-5
Smiles
[C@H] (NCCCC1=CC (C (F) (F) F) =CC=C1) (C) C=2C3=C (C=CC2) C=CC=C3.Cl
Molecular Formula
C22H23ClF3N
Molecular Weight
393.88
Notes
For research use only.

Chemical Information

N-[(1S)-1-(1-Naphthyl)ethyl]-3-[3-(trifluoromethyl)phenyl]-1-propanamine hydrochloride
CAS Number1217809-88-5
PubChem CID46781027
IUPAC NameN-[(1S)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
Molecular FormulaC22H23ClF3N
Molecular Weight393.9
Topological Polar Surface Area12
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity422
SMILES
C[C@@H](C1=CC=CC2=CC=CC=C21)NCCCC3=CC(=CC=C3)C(F)(F)F.Cl
InChI
InChI=1S/C22H22F3N.ClH/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25;/h2-5,7,9-13,15-16,26H,6,8,14H2,1H3;1H/t16-;/m0./s1
InChIKey
QANQWUQOEJZMLL-NTISSMGPSA-N
Chemical Structure
2D Structure
2D structure of N-[(1S)-1-(1-Naphthyl)ethyl]-3-[3-(trifluoromethyl)phenyl]-1-propanamine hydrochloride
CAS: 1217809-88-5
CID: 46781027
Formula: C22H23ClF3N
MW: 393.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight393.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass393.1471119
Monoisotopic Mass393.1471119
Topological Polar Surface Area12 Ų
Heavy Atom Count27
Formal Charge0
Complexity422
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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