Identità

Anastrozole-d3 Dimer Impurity

Non indicato · C30H31N9

01Identità

Lazychem ID	LC-38519
CAS RN	Non indicato
PubChem CID	71313397
Molecular formula	C30H31N9
Molecular weight	520.6 g/mol
IUPAC name	2-[3-(2-cyanopropan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-[[3-(2-cyanopropan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-3,3,3-trideuteriopropanenitrile
InChIKey	XOBTYKNGXUMRQU-VPYROQPTSA-N

02Struttura e stereochimica

Two-dimensional chemical structure of Anastrozole-d3 Dimer Impurity — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.

Defined stereocentres	0
Ring count	4
Secondary amines	0
Tertiary amines	0

SMILES	[2H]C([2H])([2H])C(CC1=CC(=CC(=C1)C(C)(C)C#N)CN2C=NC=N2)(C#N)C3=CC(=CC(=C3)C(C)(C)C#N)CN4C=NC=N4
InChI	Non indicato

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

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.