पहचान

Ticagrelor Impurity 69

सूचीबद्ध नहीं · C19H26ClN5O5S

01पहचान

Lazychem IDLC-36268
CAS RNसूचीबद्ध नहीं
PubChem CID117626282
Molecular formulaC19H26ClN5O5S
Molecular weight472.0 g/mol
IUPAC name2-[[(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
InChIKeyZAHNZUXSXJZLSO-PAPYEOQZSA-N

02संरचना और त्रिविम रसायन

2D structurePubChem CID 117626282
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 stereocentres4
Ring count4
Secondary amines0
Tertiary amines0
SMILESCCCSC1=NC2=C(C(=N1)Cl)N=NN2[C@@H]3C[C@@H]([C@@H]4[C@H]3OC(O4)(C)C)OCCOC(=O)C
InChIसूचीबद्ध नहीं

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.

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.

04भारत में स्थिति

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

05नाम और संबंध

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