Aitheantas

Ticagrelor Impurity 69

Gan liostú · C19H26ClN5O5S

01Aitheantas

Lazychem ID	LC-36268
CAS RN	Gan liostú
PubChem CID	117626282
Molecular formula	C19H26ClN5O5S
Molecular weight	472.0 g/mol
IUPAC name	2-[[(3aR,4S,6R,6aS)-6-(7-chloro-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethyl acetate
InChIKey	ZAHNZUXSXJZLSO-PAPYEOQZSA-N

02Struchtúr agus steiréicheimic

Two-dimensional chemical structure of Ticagrelor Impurity 69 — 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, has 4 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

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

SMILES	CCCSC1=NC2=C(C(=N1)Cl)N=NN2[C@@H]3C[C@@H]([C@@H]4[C@H]3OC(O4)(C)C)OCCOC(=O)C
InChI	Gan liostú

03Stereochemistry

The published structure contains 4 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres4Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 16Before 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.