Tunnistetiedot

Ticagrelor Cyclized Impurity

Ei ilmoitettu · C23H27F2N7O5S

01Tunnistetiedot

Lazychem IDLC-29575
CAS RNEi ilmoitettu
PubChem CID176475005
Molecular formulaC23H27F2N7O5S
Molecular weight551.57 g/mol
IUPAC name(1S,2S,3R,5S)-3-(7-((3-(3,4-difluorophenyl)-4,5-dihydroisoxazol-5-yl)amino)-5-(propylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-5-(2-hydroxyethoxy)cyclopentane-1,2-diol
InChIKeyDJOCBMQBAYWGKY-HVTKSUFJSA-N

02Rakenne ja stereokemia

2D structurePubChem CID 176475005
Two-dimensional chemical structure of Ticagrelor Cyclized Impurity
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, has 4 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres4
Ring count5
Secondary amines1
Tertiary amines0
SMILESCCCSC1=NC(=C2C(=N1)N(N=N2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NC4CC(=NO4)C5=CC(=C(C=C5)F)F
InChIEi ilmoitettu

03Stereochemistry

The published structure contains 4 defined and 1 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres4Structure assigned
Unassigned centres1Structure unspecified
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 32Before 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

API ja emolääke

Ticagrelor

Epäpuhtaudet ja lähiyhdisteet

Nimet ja suhteet

    Epäpuhtaudet ja lähiyhdisteet

    06Lähteet