6941-75-9 Purity
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Specification
The molecular formula of ent-cinacalcet hydrochloride is C22H23ClF3N.
The synonyms for ent-cinacalcet hydrochloride include ent-Cinacalcet Hydrochloride, 1217809-88-5, and 694495-47-1.
The molecular weight of ent-cinacalcet hydrochloride is 393.9 g/mol.
The IUPAC name of ent-cinacalcet hydrochloride is N-[(1S)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride.
The InChI of ent-cinacalcet hydrochloride is 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.
The InChIKey of ent-cinacalcet hydrochloride is QANQWUQOEJZMLL-NTISSMGPSA-N.
The canonical SMILES of ent-cinacalcet hydrochloride is CC(C1=CC=CC2=CC=CC=C21)NCCCC3=CC(=CC=C3)C(F)(F)F.Cl.
There are 2 hydrogen bond donor counts in ent-cinacalcet hydrochloride.
There are 4 hydrogen bond acceptor counts in ent-cinacalcet hydrochloride.
There are 6 rotatable bond counts in ent-cinacalcet hydrochloride.