Tunnistetiedot

3'-Hydroxy Warfarin

CAS 30992-81-5 · C19H16O5

01Tunnistetiedot

Lazychem IDLC-02757
CAS RN30992-81-5
PubChem CID54691382
Molecular formulaC19H16O5
Molecular weight324.33 g/mol
IUPAC name4-Hydroxy-3-[1-(3-hydroxyphenyl)-3-oxobutyl]-2H-1-benzopyran-2-one
InChIKeyDDKYQGKCKYAWAT-UHFFFAOYSA-N

02Rakenne ja stereokemia

2D structurePubChem CID 54691382
Two-dimensional chemical structure of 3'-Hydroxy Warfarin, CAS 30992-81-5
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.
SMILESCC(=O)CC(C1=CC(=CC=C1)O)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

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

Warfarin

Epäpuhtaudet ja lähiyhdisteet

Nimet ja suhteet

  • 4-HYDROXY-3-[1-(3-HYDROXYPHENYL)-3-OXOBUTYL]CHROMEN-2-ONE
  • 2H-1-Benzopyran-2-one, 4-hydroxy-3-[1-(3-hydroxyphenyl)-3-oxobutyl]-
  • (R)-3'-Hydroxy Warfarin
  • 3-(a-Acetonyl-m-hydroxybenzyl)-4-hydroxycoumarin

Epäpuhtaudet ja lähiyhdisteet

06Lähteet