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Cinacalcet ,Cinacalcet [INN],Cinacalcet (USAN),nchembio.2007.55-comp29

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摘 要:Cinacalcet ,Cinacalcet [INN],Cinacalcet (USAN),nchembio.2007.55-comp29,AMG073 ,CHEBI:48390,HSDB 7318,AMG 073 ,DB01012,LS-187374, N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-,amine,Canonical SMILES: CC(C1=CC=CC2=CC=CC=C21)NCC
[Synonyms]
Cinacalcet
Cinacalcet [INN]
Cinacalcet (USAN)
nchembio.2007.55-comp29
AMG073
CHEBI:48390
HSDB 7318
AMG 073
DB01012
LS-187374

[Structure]
Cinacalcet ,Cinacalcet [INN],Cinacalcet (USAN),nchembio.2007.55-comp29

[ Properties Computed from Structure]
Molecular Weight357.41199 [g/mol]
Molecular FormulaC22H22F3N
XLogP6.5
H-Bond Donor1
H-Bond Acceptor4
Rotatable Bond Count6
Exact Mass357.170434
MonoIsotopic Mass357.170434
Topological Polar Surface Area12
Heavy Atom Count26
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 Count1

[ Descriptors Computed from Structure]
IUPAC Name: N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-
amine
Canonical SMILES: CC(C1=CC=CC2=CC=CC=C21)NCCCC3=CC(=CC=C3)C(F)(F)F
Isomeric SMILES: C[C@H](C1=CC=CC2=CC=CC=C21)NCCCC3=CC(=CC=C3)C(F)(F)F
InChI: InChI=1/C22H22F3N/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/t16-/m1/s1

 
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