Identité

8-Hydroxy Warfarin

CAS 17834-04-7 · C19H16O5

01Identité

Lazychem IDLC-04009
CAS RN17834-04-7
PubChem CID54697550
Molecular formulaC19H16O5
Molecular weight324.33 g/mol
IUPAC name4,8-dihydroxy-3-(3-oxo-1-phenylbutyl)-2H-chromen-2-one
InChIKeyBHBOXPNWDGYJNB-UHFFFAOYSA-N

02Structure et stéréochimie

2D structurePubChem CID 54697550
Two-dimensional chemical structure of 8-Hydroxy Warfarin, CAS 17834-04-7
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.
SMILESCC(=O)CC(C1=CC=CC=C1)C2=C(C3=C(C(=CC=C3)O)OC2=O)O
InChINon indiqué

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.

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

Warfarin

Impuretés et composés apparentés

Noms et relations

  • 8-Hydroxywarfarin
  • T1CK4E3S36
  • 2H-1-Benzopyran-2-one, 4,8-dihydroxy-3-(3-oxo-1-phenylbutyl)-
  • 4,8-DIHYDROXY-3-(3-OXO-1-PHENYLBUTYL)CHROMEN-2-ONE
  • (S)-8-Hydroxy Warfarin
  • (R)-8-HYDROXY WARFARIN
  • 8-Hydroxy Warfarin-d5
  • UNII-T1CK4E3S36

Impuretés et composés apparentés

06Sources