Identità

8-Hydroxywarfarin, (S)-

Non indicato · C19H16O5

01Identità

Lazychem IDLC-40217
CAS RNNon indicato
PubChem CID54742169
Molecular formulaC19H16O5
Molecular weight324.3 g/mol
IUPAC name4,8-dihydroxy-3-[(1S)-3-oxo-1-phenylbutyl]chromen-2-one
InChIKeyBHBOXPNWDGYJNB-AWEZNQCLSA-N

02Struttura e stereochimica

2D structurePubChem CID 54742169
Two-dimensional chemical structure of 8-Hydroxywarfarin, (S)-
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, has 1 defined stereocentre. These statements are calculated from the published structure string.

Defined stereocentres1
Ring count3
Secondary amines0
Tertiary amines0
SMILESCC(=O)C[C@@H](C1=CC=CC=C1)C2=C(C3=C(C(=CC=C3)O)OC2=O)O
InChINon indicato

03Stereochemistry

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

Defined centres1Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact 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.

04Stato in India

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

05Nomi e relazioni

API e farmaco progenitore

Non indicato

Nomi e relazioni

    Impurezze e composti correlati

      06Fonti