Responsive image

Common name


Cinacalcet

IUPAC name


[(1R)-1-(naphthalen-1-yl)ethyl]({3-[3-(trifluoromethyl)phenyl]propyl})amine

SMILES


C[C@@H](NCCCC1=CC(=CC=C1)C(F)(F)F)C1=CC=CC2=CC=CC=C12

Compound class


Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Anti-Parathyroid Agents; Calcium Homeostasis; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Calcimimetic Agents; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors;

Therapeutic area


For the treatment of secondary hyperparathyroidism in patients with Chronic Kidney Disease who are on hemodialysis or peritoneal dialysis. Also for the treatment of hypercalcemia in patients with parathyroid carcinoma.

Common name


Cinacalcet

IUPAC name


[(1R)-1-(naphthalen-1-yl)ethyl]({3-[3-(trifluoromethyl)phenyl]propyl})amine

SMILES


C[C@@H](NCCCC1=CC(=CC=C1)C(F)(F)F)C1=CC=CC2=CC=CC=C12

INCHI


InChI=1S/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

FORMULA


C22H22F3N

Responsive image

Common name


Cinacalcet

IUPAC name


[(1R)-1-(naphthalen-1-yl)ethyl]({3-[3-(trifluoromethyl)phenyl]propyl})amine

Molecular weight


357.412

clogP


6.521

clogS


-7.468

HBond Acceptor


0

HBond Donor


1

Total Polar
Surface Area


12.03

Number of Rings


3

Rotatable Bond


7

Drug ID Common name Structure CAS SMILE Frequency
FDBF00023 toluene Responsive image c1(ccccc1)C 0.1268
FDBF00070 N-ethylethanamine Responsive image N(CC)CC 0.0240
FDBF00141 ethylbenzene Responsive image c1(ccccc1)CC 0.0371
FDBF00162 trifluoromethylbenzene Responsive image c1ccc(cc1)C(F)(F)F 0.0172
14 , 2