Chemical identity

Cinacalcet Related Compound D (HCl Salt)

CAS 1217809-88-5 · C22H23ClF3N

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-10756
PubChem CID46781027
NameCinacalcet Related Compound D (HCl Salt)
CAS RN1217809-88-5
Molecular formulaC22H23ClF3N
Molecular weight393.87 g/mol
IUPAC name(S)-N-[1-(Naphthalen-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine hydrochloride
InChIKeyQANQWUQOEJZMLL-NTISSMGPSA-N

02Structure identifiers

2D structurePubChem CID 46781027
2D structure: Cinacalcet Related Compound D (HCl Salt), CAS 1217809-88-5
Structure of Cinacalcet Related Compound D (HCl Salt) (CAS 1217809-88-5). LazyChem record. Source identity: PubChem CID 46781027. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC22H23ClF3N
InChIKeyQANQWUQOEJZMLL-NTISSMGPSA-N
Ring count3
Defined stereocentres1
Unassigned stereocentres0
SMILESC[C@@H](C1=CC=CC2=CC=CC=C21)NCCCC3=CC(=CC=C3)C(F)(F)F.Cl
InChIInChI=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

03Stereochemistry

The published structure contains 1 defined and 0 unassigned tetrahedral stereocentre. The exact wedge-and-dash depiction is shown above.

Defined stereocentres12D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction

Published same-connectivity configurations

2 records

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04Possible N-nitroso structures

A record-level structural review indicates a possible N-nitroso candidate. This is not a confirmed impurity, formation prediction or analytical finding.

Possible structure candidateUnconfirmed identity
Possible N-nitroso structural candidate related to Cinacalcet Related Compound D (HCl Salt), CAS 1217809-88-5
No CAS number, formation claim or analytical confirmation is assigned.

A structural result alone does not establish that a nitrosamine forms. A process-specific and analytical assessment is required.

05India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNOT FOUND IN REVIEWED ENTRIESCAS 1217809-88-5 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 1217809-88-5 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Names and relationships

Associated parent compound

Cinacalcet

View API and impurity family

Other names

  • Cinacalcet S-Isomer (HCl Salt)
  • ent-Cinacalcet (HCl Salt)
  • Cinacalcet Related Compound D - ()

Related records from the same parent family

07Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

08Sources