Ταυτότητα

Vk-5211

Δεν αναφέρεται · C14H12F6N2O

01Ταυτότητα

Lazychem IDLC-61838
CAS RNΔεν αναφέρεται
PubChem CID44137686
Molecular formulaC14H12F6N2O
Molecular weight338.25 g/mol
IUPAC name4-[(2R)-2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile
InChIKeyOPSIVAKKLQRWKC-VXGBXAGGSA-N

02Δομή και στερεοχημεία

2D structurePubChem CID 44137686
Two-dimensional chemical structure of Vk-5211
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 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 count2
Secondary amines0
Tertiary amines1
SMILESC1C[C@@H](N(C1)C2=CC(=C(C=C2)C#N)C(F)(F)F)[C@H](C(F)(F)F)O
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

Δεν αναφέρεται

Ονόματα και σχέσεις

    Προσμίξεις και συγγενείς ενώσεις

      06Πηγές