Identiteit

Ormeloxifene Impurity 1

Niet vermeld · C30H35NO3

01Identiteit

Lazychem ID	LC-48783
CAS RN	Niet vermeld
PubChem CID	5745291
Molecular formula	C30H35NO3
Molecular weight	457.6 g/mol
IUPAC name	1-[2-[4-[(3S,4R)-7-methoxy-2,2-dimethyl-3-phenyl-3,4-dihydrochromen-4-yl]phenoxy]ethyl]pyrrolidine
InChIKey	XZEUAXYWNKYKPL-FQLXRVMXSA-N

02Structuur en stereochemie

Two-dimensional chemical structure of Ormeloxifene Impurity 1 — 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 2 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	2
Ring count	5
Secondary amines	0
Tertiary amines	1

SMILES	CC1([C@@H]([C@@H](C2=C(O1)C=C(C=C2)OC)C3=CC=C(C=C3)OCCN4CCCC4)C5=CC=CC=C5)C
InChI	Niet vermeld

03Stereochemistry

The published structure contains 2 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres2Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 4Before 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.