[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](/file/upload/dataimg/16/156419.png)
[ Properties Computed from Structure]
[ 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
Cinacalcet
Cinacalcet [INN]
Cinacalcet (USAN)
nchembio.2007.55-comp29
AMG073
CHEBI:48390
HSDB 7318
AMG 073
DB01012
LS-187374
[Structure]
[ Properties Computed from Structure]
| Molecular Weight | 357.41199 [g/mol] |
| Molecular Formula | C22H22F3N |
| XLogP | 6.5 |
| H-Bond Donor | 1 |
| H-Bond Acceptor | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 357.170434 |
| MonoIsotopic Mass | 357.170434 |
| Topological Polar Surface Area | 12 |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 422 |
| Isotope Atom Count | 0 |
| Defined Atom StereoCenter Count | 1 |
| Undefined Atom StereoCenter Count | 0 |
| Defined Bond StereoCenter Count | 0 |
| Undefined Bond StereoCenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
[ 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
