Ταυτότητα

Torcetrapib

Δεν αναφέρεται · C26H25F9N2O4

01Ταυτότητα

Lazychem IDLC-113565
CAS RNΔεν αναφέρεται
PubChem CID159325
Molecular formulaC26H25F9N2O4
Molecular weight600.5 g/mol
IUPAC nameethyl (2R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonylamino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate
InChIKeyCMSGWTNRGKRWGS-NQIIRXRSSA-N

02Δομή και στερεοχημεία

2D structurePubChem CID 159325
Two-dimensional chemical structure of Torcetrapib
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon, has 2 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres2
Ring count3
Secondary amines0
Tertiary amines0
SMILESCC[C@@H]1C[C@@H](C2=C(N1C(=O)OCC)C=CC(=C2)C(F)(F)F)N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)OC
InChIΔεν αναφέρεται

03Stereochemistry

The published structure contains 2 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres2Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 4Before symmetry reduction

Published same-connectivity configurations

1 record

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.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

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.

04Κατάσταση στην Ινδία

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

05Ονόματα και σχέσεις

API και μητρικό φάρμακο

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Ονόματα και σχέσεις

    Προσμίξεις και συγγενείς ενώσεις

      06Πηγές