Chemical identity

Ticagrelor Related Compound 47

CAS 1445580-43-7 · C14H21N5O5S

01Identity

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

Lazychem IDLC-29604
PubChem CID135741920
NameTicagrelor Related Compound 47
CAS RN1445580-43-7
Molecular formulaC14H21N5O5S
Molecular weight371.4 g/mol
IUPAC name(1S,2S,3R,5R)-3-(7-hydroxy-5-(propylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-5-(2-hydroxyethoxy)cyclopentane-1,2-diol
InChIKeyYMQPMTYKFZPQGL-YKDSUIRESA-N

02Structure identifiers

2D structurePubChem CID 135741920
Two-dimensional chemical structure of Ticagrelor Related Compound 47, CAS 1445580-43-7
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon, has 4 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres4
Unassigned stereocentres0
Ring count3
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCCCSC1=NC2=C(C(=O)N1)N=NN2[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO
InChINot listed
Formula from structureC14H21N5O5S
Molecular weight from structure371.4 g/mol

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.

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 / RCSNO EXACT MATCH FOUNDCAS 1445580-43-7 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1445580-43-7 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Ticagrelor

View API and impurity family

Other names

  • (1S,2S,3R,5S)-3-(7-hydroxy-5-(propylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-5-(2-hydroxyethoxy)cyclopentane-1,2-diol
  • 1445580-43-7
  • 3-[(1R,2S,3S,4S)-2,3-Dihydroxy-4-(2-hydroxyethoxy)cyclopentyl]-3,6-dihydro-5-(propylthio)-7H-1,2,3-triazolo[4,5-d]pyrimidin-7-one
  • 3-[(1R,2S,3S,4S)-2,3-dihydroxy-4-(2-hydroxyethoxy)cyclopentyl]-5-propylsulfanyl-6H-triazolo[4,5-d]pyrimidin-7-one
  • C14H21N5O5S
  • Ticagrelor Impurity 130
  • SCHEMBL15057950
  • Ticagrelor Impurity I (Ul136)
  • CS-D1208
  • MFCD30187502
  • AKOS037651470
  • CS-16953

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