Tunnistetiedot

Warfarin

Ei ilmoitettu · C19H16O4

01Tunnistetiedot

Lazychem IDLC-57637
CAS RNEi ilmoitettu
PubChem CID54678486
Molecular formulaC19H16O4
Molecular weight308.3 g/mol
IUPAC name4-hydroxy-3-(3-oxo-1-phenylbutyl)chromen-2-one
InChIKeyPJVWKTKQMONHTI-UHFFFAOYSA-N

02Rakenne ja stereokemia

2D structurePubChem CID 54678486
Two-dimensional chemical structure of Warfarin
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. These statements are calculated from the published structure string.

Defined stereocentres0
Ring count3
Secondary amines0
Tertiary amines0
SMILESCC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)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

3 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.

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

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Nimet ja suhteet

    Epäpuhtaudet ja lähiyhdisteet

      06Lähteet