Identita

Acetoxy Ticagrelor Acetonide

Neuvedeno · C28H34F2N6O5S

01Identita

Lazychem ID	LC-33057
CAS RN	Neuvedeno
PubChem CID	169432968
Molecular formula	C28H34F2N6O5S
Molecular weight	604.7 g/mol
IUPAC name	2-[[(3aR,4S,6R,6aS)-6-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-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
InChIKey	NLSOWKSOHDESKM-MCHVBHGGSA-N

02Struktura a stereochemie

Two-dimensional chemical structure of Acetoxy Ticagrelor Acetonide — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 6 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	6
Secondary amines	1
Tertiary amines	0

SMILES	CCCSC1=NC(=C2C(=N1)N(N=N2)[C@@H]3C[C@@H]([C@@H]4[C@H]3OC(O4)(C)C)OCCOC(=O)C)N[C@@H]5C[C@H]5C6=CC(=C(C=C6)F)F
InChI	Neuvedeno

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.