Identiteit

Fosaprepitant Impurity 4

Niet vermeld · C23H22F7N4O6P

01Identiteit

Lazychem IDLC-34558
CAS RNNiet vermeld
PubChem CID137138796
Molecular formulaC23H22F7N4O6P
Molecular weight614.4 g/mol
IUPAC name[3-[[(2R,3R)-2-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-5-oxo-4H-1,2,4-triazol-1-yl]phosphonic acid
InChIKeyBARDROPHSZEBKC-NXXCRTJYSA-N

02Structuur en stereochemie

2D structurePubChem CID 137138796
Two-dimensional chemical structure of Fosaprepitant Impurity 4
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.
SMILESC[C@@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@H](N(CCO2)CC3=NN(C(=O)N3)P(=O)(O)O)C4=CC=C(C=C4)F
InChINiet vermeld

03Stereochemistry

The published structure contains 3 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres3Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 8Before symmetry reduction

Published same-connectivity configurations

4 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.

04Status in India

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

05Namen en relaties

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      06Bronnen