Identité

Rolapitant Impurity 1

Non indiqué · C25H26F6N2O2

01Identité

Lazychem IDLC-36924
CAS RNNon indiqué
PubChem CID89953552
Molecular formulaC25H26F6N2O2
Molecular weight500.5 g/mol
IUPAC name(5S,8R)-8-[[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-8-phenyl-1,9-diazaspiro[4.5]decan-2-one
InChIKeyFIVSJYGQAIEMOC-FNVCAUGXSA-N

02Structure et stéréochimie

2D structurePubChem CID 89953552
Two-dimensional chemical structure of Rolapitant Impurity 1
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 stereocentres3
Ring count4
Secondary amines1
Tertiary amines0
SMILESC[C@@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC[C@@]2(CC[C@]3(CCC(=O)N3)CN2)C4=CC=CC=C4
InChINon indiqué

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

8 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.

04Statut en Inde

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

05Noms et relations

API et médicament parent

Non indiqué

Noms et relations

    Impuretés et composés apparentés

      06Sources