Identitet

6-Hydroxy Warfarin

CAS 17834-02-5 · C19H16O5

01Identitet

Lazychem IDLC-03726
CAS RN17834-02-5
PubChem CID54682459
Molecular formulaC19H16O5
Molecular weight324.33 g/mol
IUPAC name4,6-Dihydroxy-3-(3-oxo-1-phenylbutyl)-2H-1-benzopyran-2-one
InChIKeyIQWPEJBUOJQPDE-UHFFFAOYSA-N

02Struktur og stereokemi

2D structurePubChem CID 54682459
Two-dimensional chemical structure of 6-Hydroxy Warfarin, CAS 17834-02-5
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=C(C=CC(=C3)O)OC2=O)O
InChIIkke angivet

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

2 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.

04Status i Indien

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

05Navne og relationer

API og moderlægemiddel

Warfarin

Urenheder og beslægtede forbindelser

Navne og relationer

  • 6-Hydroxywarfarin
  • 17834-02-5
  • P25D26M0HK
  • 4,6-Dihydroxy-3-(3-oxo-1-phenylbutyl)-2H-1-benzopyran-2-one
  • RefChem:104862
  • 621-109-5
  • (R)-6-Hydroxy Warfarin
  • 4,6-dihydroxy-3-(3-oxo-1-phenylbutyl)-2H-chromen-2-one
  • 4,6-DIHYDROXY-3-(3-OXO-1-PHENYLBUTYL)CHROMEN-2-ONE
  • Warfarin-alcohol
  • 2H-1-Benzopyran-2-one, 4,6-dihydroxy-3-(3-oxo-1-phenylbutyl)-
  • UNII-P25D26M0HK

Urenheder og beslægtede forbindelser

06Kilder