Chemical identity

6-Hydroxy Warfarin

CAS 17834-02-5 · C19H16O5

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-03726
PubChem CID54682459
Name6-Hydroxy Warfarin
CAS RN17834-02-5
Molecular formulaC19H16O5
Molecular weight324.33 g/mol
IUPAC name4,6-Dihydroxy-3-(3-oxo-1-phenylbutyl)-2H-1-benzopyran-2-one
InChIKeyIQWPEJBUOJQPDE-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 54682459
2D structure: 6-Hydroxy Warfarin, CAS 17834-02-5
Structure of 6-Hydroxy Warfarin (CAS 17834-02-5). LazyChem record. Source identity: PubChem CID 54682459. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC19H16O5
InChIKeyIQWPEJBUOJQPDE-UHFFFAOYSA-N
Ring count3
Defined stereocentres0
Unassigned stereocentres1
SMILESCC(=O)CC(C1=CC=CC=C1)C2=C(C3=C(C=CC(=C3)O)OC2=O)O
InChIInChI=1S/C19H16O5/c1-11(20)9-14(12-5-3-2-4-6-12)17-18(22)15-10-13(21)7-8-16(15)24-19(17)23/h2-8,10,14,21-22H,9H2,1H3

03Stereochemistry

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

Defined stereocentres02D structure
Unassigned stereocentres12D structure
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.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNOT FOUND IN REVIEWED ENTRIESCAS 17834-02-5 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 17834-02-5 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Warfarin

View API and impurity family

Other names

  • 6-Hydroxywarfarin
  • (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)-

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources