Ταυτότητα

Treprostinil Impurity 2

Δεν αναφέρεται · C22H34O3

01Ταυτότητα

Lazychem ID	LC-46430
CAS RN	Δεν αναφέρεται
PubChem CID	11152195
Molecular formula	C22H34O3
Molecular weight	346.5 g/mol
IUPAC name	(1R,2R,3aS,9aS)-1-[(3S)-3-hydroxyoctyl]-5-methoxy-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalen-2-ol
InChIKey	DOKGVQFKRMEKJX-ZFORQUDYSA-N

02Δομή και στερεοχημεία

Two-dimensional chemical structure of Treprostinil Impurity 2 — 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 5 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	5
Ring count	3
Secondary amines	0
Tertiary amines	0

SMILES	CCCCC[C@@H](CC[C@H]1[C@@H](C[C@H]2[C@@H]1CC3=C(C2)C(=CC=C3)OC)O)O
InChI	Δεν αναφέρεται

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

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.