Identiteit

Einecs 251-075-3

Niet vermeld · C13H14N6O6S

01Identiteit

Lazychem IDLC-52141
CAS RNNiet vermeld
PubChem CID122893
Molecular formulaC13H14N6O6S
Molecular weight382.35 g/mol
IUPAC name3-(acetyloxymethyl)-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
InChIKeyPIXMOMPJMIAMLJ-UHFFFAOYSA-N

02Structuur en stereochemie

2D structurePubChem CID 122893
Two-dimensional chemical structure of Einecs 251-075-3
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)OCC1=C(N2C(C(C2=O)NC(=O)CN3C=NN=N3)SC1)C(=O)O
InChINiet vermeld

03Stereochemistry

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

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

04Status in India

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

05Namen en relaties

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      06Bronnen