Identita

2T8Dep7KY8

CAS 327623-35-8 · C21H19F6NO3

01Identita

Lazychem IDLC-15830
CAS RN327623-35-8
PubChem CID124602476
Molecular formulaC21H19F6NO3
Molecular weight447.38 g/mol
IUPAC name(R)-4-benzyl-2-((S)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)morpholin-3-one
InChIKeyKVPJNHLVRGUYGQ-ORAYPTAESA-N

02Struktura a stereochemie

2D structurePubChem CID 124602476
Two-dimensional chemical structure of 2T8Dep7KY8, CAS 327623-35-8
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
SMILESC[C@@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@@H]2C(=O)N(CCO2)CC3=CC=CC=C3
InChINeuvedeno

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

6 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.

04Stav v Indii

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

05Názvy a vztahy

API a mateřské léčivo

Fosaprepitant

Nečistoty a související sloučeniny

Názvy a vztahy

  • Fosaprepitant Impurity 5
  • 2R3R-S Fosaprepitant3-Morpholinone, 2-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-(phenylmethyl)-, (2R)-
  • 2T8Dep7KY8
  • 327623-35-8
  • (2R)-2-[(1S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-4-(phenylmethyl)-3-morpholinone
  • (R)-4-benzyl-2-((S)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)morpholin-3-one
  • 3-Morpholinone, 2-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-(phenylmethyl)-, (2R)-

Nečistoty a související sloučeniny

06Zdroje