Identiteet

7-Hydroxy Warfarin

CAS 17834-03-6 · C19H16O5

01Identiteet

Lazychem IDLC-03921
CAS RN17834-03-6
PubChem CID54682507
Molecular formulaC19H16O5
Molecular weight324.33 g/mol
IUPAC name4,7-Dihydroxy-3-(3-oxo-1-phenylbutyl)-2H-1-benzopyran-2-one
InChIKeySKFYEJMLNMTTJA-UHFFFAOYSA-N

02Struktuur ja stereokeemia

2D structurePubChem CID 54682507
Two-dimensional chemical structure of 7-Hydroxy Warfarin, CAS 17834-03-6
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=C(C=C3)O)OC2=O)O
InChIPole loetletud

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.

04Staatus Indias

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

05Nimed ja seosed

API ja lähteravim

Warfarin

Lisandid ja seotud ühendid

Nimed ja seosed

  • 7-Hydroxywarfarin
  • 17834-03-6
  • 2H-1-Benzopyran-2-one, 4,7-dihydroxy-3-(3-oxo-1-phenylbutyl)-
  • B92SFW09LJ
  • RefChem:106255
  • 621-110-0
  • 4,7-DIHYDROXY-3-(3-OXO-1-PHENYLBUTYL)CHROMEN-2-ONE
  • 4,7-dihydroxy-3-(3-oxo-1-phenylbutyl)-2H-chromen-2-one
  • 2,7-dihydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-4-one
  • 4,7-Dihydroxy-3-(3-oxo-1-phenylbutyl)-2H-1-benzopyran-2-one
  • UNII-B92SFW09LJ
  • Warfarin RC15

Lisandid ja seotud ühendid

06Allikad