Identita

Ticagrelor Impurity M

Neuvedeno · C23H28F2N6O6S

01Identita

Lazychem ID	LC-35893
CAS RN	Neuvedeno
PubChem CID	123978650
Molecular formula	C23H28F2N6O6S
Molecular weight	554.6 g/mol
IUPAC name	3-[7-[[2-(3,4-difluorophenyl)cyclopropyl]amino]-5-propylsulfonyltriazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol
InChIKey	LRDWQLSHMNMZAJ-UHFFFAOYSA-N

02Struktura a stereochemie

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

The parsed structure contains 5 rings, includes aromatic atoms, includes aliphatic carbon, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres	0
Ring count	5
Secondary amines	1
Tertiary amines	0

SMILES	CCCS(=O)(=O)C1=NC(=C2C(=N1)N(N=N2)C3CC(C(C3O)O)OCCO)NC4CC4C5=CC(=C(C=C5)F)F
InChI	Neuvedeno

03Stereochemistry

The published structure contains 0 defined and 6 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned

Unassigned centres6Structure unspecified

Assignment statusUnassignedExact published identity

Tetrahedral upper bound≤ 64Before 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.