Tunnistetiedot

Reduced Haloperidol

CAS 34104-67-1 · C21H25ClFNO2

01Tunnistetiedot

Lazychem IDLC-26811
CAS RN34104-67-1
PubChem CID119265
Molecular formulaC21H25ClFNO2
Molecular weight377.88 g/mol
IUPAC name4-(4-chlorophenyl)-1-(4-(4-fluorophenyl)-4-hydroxybutyl)piperidin-4-ol
InChIKeyWNZBBTJFOIOEMP-UHFFFAOYSA-N

02Rakenne ja stereokemia

2D structurePubChem CID 119265
Two-dimensional chemical structure of Reduced Haloperidol, CAS 34104-67-1
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, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres0
Ring count3
Secondary amines0
Tertiary amines1
SMILESC1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(C3=CC=C(C=C3)F)O
InChIEi ilmoitettu

03Stereochemistry

The published structure contains 0 defined and 1 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned
Unassigned centres1Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 2Before 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.

04Tila Intiassa

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

05Nimet ja suhteet

API ja emolääke

Haloperidol

Epäpuhtaudet ja lähiyhdisteet

Nimet ja suhteet

  • Hydroxyhaloperidol
  • 4-(4-Chlorophenyl)-alpha-(4-fluorophenyl)-4-hydroxy-1-piperidinebutanol
  • 34104-67-1
  • Dihydrohaloperidol
  • D9M1Q7KW8U
  • R-2572
  • 1-Piperidinebutanol, 4-(4-chlorophenyl)-alpha-(4-fluorophenyl)-4-hydroxy-
  • RefChem:912179
  • Reduced haloperidol
  • HALOPERIDOL METABOLITE II
  • 4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-hydroxybutyl]piperidin-4-ol
  • CHEMBL1036

Epäpuhtaudet ja lähiyhdisteet

06Lähteet