Tożsamość

Ticagrelor Impurity 34

Nie podano · C25H30F2N6O5S

01Tożsamość

Lazychem ID	LC-36214
CAS RN	Nie podano
PubChem CID	118119948
Molecular formula	C25H30F2N6O5S
Molecular weight	564.6 g/mol
IUPAC name	ethyl 2-[(1S,2S,3S,4R)-4-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]-2,3-dihydroxycyclopentyl]oxyacetate
InChIKey	DEYVMTYZEDCXPQ-YYKANMTASA-N

02Struktura i stereochemia

Two-dimensional chemical structure of Ticagrelor Impurity 34 — 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 6 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres	6
Ring count	5
Secondary amines	1
Tertiary amines	0

SMILES	CCCSC1=NC(=C2C(=N1)N(N=N2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCC(=O)OCC)N[C@@H]4C[C@H]4C5=CC(=C(C=C5)F)F
InChI	Nie podano

03Stereochemistry

The published structure contains 6 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres6Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 64Before 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.