Identiteta

3'-Hydroxy Warfarin

CAS 30992-81-5 · C19H16O5

01Identiteta

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

02Struktura in stereokemija

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.

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)O)C2=C(C3=CC=CC=C3OC2=O)O
InChINi navedeno

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.

04Status v Indiji

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

05Imena in povezave

API in matično zdravilo

Warfarin

Nečistote in sorodne spojine

Imena in povezave

  • 3'-Hydroxy Warfarin
  • 30992-81-5
  • 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
  • 124997-75-7
  • 4-Hydroxy-3-[1-(3-hydroxyphenyl)-3-oxobutyl]-2H-1-benzopyran-2-one
  • 3-(a-Acetonyl-m-hydroxybenzyl)-4-hydroxycoumarin
  • MFCD18382372
  • AKOS030239607

Nečistote in sorodne spojine

06Viri