Tunnistetiedot

Raltitrexed Impurity N1

Ei ilmoitettu · C10H9BrN2O

01Tunnistetiedot

Lazychem IDLC-37854
CAS RNEi ilmoitettu
PubChem CID72208418
Molecular formulaC10H9BrN2O
Molecular weight253.09 g/mol
IUPAC name6-(bromomethyl)-2-methyl-4aH-quinazolin-4-one
InChIKeyWUBNICUZSAJXAE-UHFFFAOYSA-N

02Rakenne ja stereokemia

2D structurePubChem CID 72208418
Two-dimensional chemical structure of Raltitrexed Impurity N1
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.
SMILESCC1=NC(=O)C2C=C(C=CC2=N1)CBr
InChIEi ilmoitettu

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.

04Tila Intiassa

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

05Nimet ja suhteet

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      06Lähteet