Identita

Travoprost Impurity 36

Neuvedeno · C23H29F3O6

01Identita

Lazychem ID	LC-48645
CAS RN	Neuvedeno
PubChem CID	6436637
Molecular formula	C23H29F3O6
Molecular weight	458.5 g/mol
IUPAC name	(Z)-7-[(1S,2S,3S,5R)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoic acid
InChIKey	WWSWYXNVCBLWNZ-CHPNCWRZSA-N

02Struktura a stereochemie

Two-dimensional chemical structure of Travoprost Impurity 36 — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 rings, includes aromatic atoms, includes aliphatic carbon, has 5 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres	5
Ring count	2
Secondary amines	0
Tertiary amines	0

SMILES	C1[C@H]([C@H]([C@@H]([C@H]1O)/C=C/[C@@H](COC2=CC=CC(=C2)C(F)(F)F)O)C/C=C\CCCC(=O)O)O
InChI	Neuvedeno

03Stereochemistry

The published structure contains 5 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres5Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 32Before symmetry reduction

Published same-connectivity configurations

3 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.