Fosaprepitant Impurity T

01Identità

Lazychem ID	LC-34559
CAS RN	Mhux elenkat
PubChem CID	137137144
Molecular formula	C23H22F7N4O6P
Molecular weight	614.4 g/mol
IUPAC name	[3-[[(2S,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
InChIKey	BARDROPHSZEBKC-KNMUDHKVSA-N

02Struttura u stereokimika

Two-dimensional chemical structure of Fosaprepitant Impurity T — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aromatic atoms, includes aliphatic carbon, has 3 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres	3
Ring count	4
Secondary amines	0
Tertiary amines	1

SMILES	C[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
InChI	Mhux elenkat

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.

CAS not listed

BARDROPHSZEBKC-KNMUDHKVSA-N

Current configuration

Fosaprepitant

CAS not listed

BARDROPHSZEBKC-OITMNORJSA-N

3 defined, 0 unassigned centres

Fosaprepitant Impurity 3

CAS not listed

BARDROPHSZEBKC-BYYRLHKVSA-N

3 defined, 0 unassigned centres

Fosaprepitant Impurity 4

CAS not listed

BARDROPHSZEBKC-NXXCRTJYSA-N

3 defined, 0 unassigned centres

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 fl-Indja

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

Fosaprepitant Impurity T

01Identità

02Struttura u stereokimika

03Stereochemistry

Published same-connectivity configurations