Chemical identity

Ticagrelor Impurity K

CAS 2248538-63-6 · C14H20ClN5O4S

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-29584
PubChem CID71609809
NameTicagrelor Impurity K
CAS RN2248538-63-6
Molecular formulaC14H20ClN5O4S
Molecular weight389.9 g/mol
IUPAC name(1S,2S,3R,5S)-3-(7-chloro-5-(propylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-5-(2-hydroxyethoxy)cyclopentane-1,2-diol
InChIKeyOPHFHASJVWECNO-YKDSUIRESA-N

02Structure identifiers

2D structurePubChem CID 71609809
2D structure: Ticagrelor Impurity K, CAS 2248538-63-6
Structure of Ticagrelor Impurity K (CAS 2248538-63-6). LazyChem record. Source identity: PubChem CID 71609809. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC14H20ClN5O4S
InChIKeyOPHFHASJVWECNO-YKDSUIRESA-N
Ring count3
Defined stereocentres4
Unassigned stereocentres0
SMILESCCCSC1=NC2=C(C(=N1)Cl)N=NN2[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO
InChIInChI=1S/C14H20ClN5O4S/c1-2-5-25-14-16-12(15)9-13(17-14)20(19-18-9)7-6-8(24-4-3-21)11(23)10(7)22/h7-8,10-11,21-23H,2-6H2,1H3/t7-,8+,10+,11-/m1/s1

03Stereochemistry

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

Defined stereocentres42D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 16Before 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.

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.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNOT FOUND IN REVIEWED ENTRIESCAS 2248538-63-6 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 2248538-63-6 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Ticagrelor

View API and impurity family

Other names

  • Ticagrelor Impurity 4
  • (1S, 2S, 3R, 5S)-3-(7-Chloro-5-(Propylthio)-3H-[1, 2, 3]Triazolo[4, 5-d]Pyrimidin-3-Yl)-5-(2-Hydroxyethoxy)Cyclopentane-1, 2-Diol
  • 1, 2-Cyclopentanediol, 3-[7-chloro-5-(propylthio)-3H-1, 2, 3-triazolo[4, 5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)-(1S, 2S, 3R, 5S)
  • 3-[7-Chloro-5-(propylthio)-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)-1,2-cyclopentanediol, (1S,2S,3R,5S)-
  • OPHFHASJVWECNO-YKDSUIRESA-N

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources