Identita

Clavulanate

Neuvedené · C8H8NO5-

01Identita

Lazychem IDLC-100837
CAS RNNeuvedené
PubChem CID16204478
Molecular formulaC8H8NO5-
Molecular weight198.15 g/mol
IUPAC name(2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylate
InChIKeyHZZVJAQRINQKSD-PBFISZAISA-M

02Štruktúra a stereochémia

2D structurePubChem CID 16204478
Two-dimensional chemical structure of Clavulanate
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 rings, includes aliphatic carbon, has 2 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres2
Ring count2
Secondary amines0
Tertiary amines0
SMILESC1[C@@H]2N(C1=O)[C@H](/C(=C/CO)/O2)C(=O)[O-]
InChINeuvedené

03Stereochemistry

The published structure contains 2 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres2Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 4Before 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.

04Stav v Indii

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

05Názvy a vzťahy

API a materské liečivo

Neuvedené

Názvy a vzťahy

  • CLAVULANATE
  • clavulanic acid anion
  • (3R,5R)-clavulanic acid
  • CHEBI:487869
  • (2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylate
  • CLAVULANATE [VANDF]
  • (2R,5R,Z)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-aza-bicyclo[3.2.0]heptane-2-carboxylate
  • RefChem:577694
  • CHEMBL8290
  • CHEMBL9306
  • clavulanate potassium salt
  • BDBM50033685

Nečistoty a súvisiace zlúčeniny

    06Zdroje